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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type I alpha subunit' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 I alpha subunit


(Homo sapiens)
BDBM50118516
PNG
(CHEMBL3617053)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27)
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n/an/a<20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 channel by patch clamp electrophysiology assay


J Med Chem 58: 7093-118 (2015)

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


(Homo sapiens)
BDBM50344821
PNG
(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Show SMILES NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO
Show InChI InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1
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n/an/a<30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated Na channel 1.1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type I alpha subunit


(Homo sapiens)
BDBM50173134
PNG
(CHEMBL3809595)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F
Show InChI InChI=1S/C14H7F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-7H
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n/an/a 400n/an/an/an/an/an/a



Gilead Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of 10 Hz stimulated Nav1.1 (unknown origin) by manual patch clamp method


Bioorg Med Chem Lett 26: 3207-11 (2016)

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


(Homo sapiens)
BDBM50130525
PNG
(CHEMBL3632641)
Show SMILES OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C29H30N2O4/c32-25(20-35-26-12-10-22(11-13-26)28(33)21-6-2-1-3-7-21)19-30-16-14-24(15-17-30)31-18-23-8-4-5-9-27(23)29(31)34/h1-13,24-25,32H,14-20H2
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n/an/a 670n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130536
PNG
(CHEMBL3632696)
Show SMILES OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)NC(=O)c1ccccc1
Show InChI InChI=1/C22H25F3N2O3/c23-22(24,25)17-6-8-20(9-7-17)30-15-19(28)14-27-12-10-18(11-13-27)26-21(29)16-4-2-1-3-5-16/h1-9,18-19,28H,10-15H2,(H,26,29)
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n/an/a 800n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130533
PNG
(CHEMBL3632693)
Show SMILES COc1cc(ccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1/C24H27F3N2O4/c1-32-22-12-17(24(25,26)27)6-7-21(22)33-15-19(30)14-28-10-8-18(9-11-28)29-13-16-4-2-3-5-20(16)23(29)31/h2-7,12,18-19,30H,8-11,13-15H2,1H3
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n/an/a 910n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130524
PNG
(CHEMBL3634332)
Show SMILES OC(COc1cccc(c1)C(=O)c1ccccc1)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C29H30N2O4/c32-25(20-35-26-11-6-10-22(17-26)28(33)21-7-2-1-3-8-21)19-30-15-13-24(14-16-30)31-18-23-9-4-5-12-27(23)29(31)34/h1-12,17,24-25,32H,13-16,18-20H2
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n/an/a 920n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50371391
PNG
(SENICAPOC)
Show SMILES NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated Na channel 1.1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type I alpha subunit


(Homo sapiens)
BDBM50130531
PNG
(CHEMBL3632691)
Show SMILES OC(COc1cccc(c1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H25F3N2O3/c24-23(25,26)17-5-3-6-20(12-17)31-15-19(29)14-27-10-8-18(9-11-27)28-13-16-4-1-2-7-21(16)22(28)30/h1-7,12,18-19,29H,8-11,13-15H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130535
PNG
(CHEMBL3632695)
Show SMILES OC(=O)\C=C\C(O)=O.COc1cc(ccc1COCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1/C25H29F3N2O4.C4H4O4/c1-33-23-12-19(25(26,27)28)7-6-18(23)15-34-16-21(31)14-29-10-8-20(9-11-29)30-13-17-4-2-3-5-22(17)24(30)32;5-3(6)1-2-4(7)8/h2-7,12,20-21,31H,8-11,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130532
PNG
(CHEMBL3632692)
Show SMILES OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H25F3N2O3/c24-23(25,26)17-5-7-20(8-6-17)31-15-19(29)14-27-11-9-18(10-12-27)28-13-16-3-1-2-4-21(16)22(28)30/h1-8,18-19,29H,9-15H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50008745
PNG
(CHEMBL3236329)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)NCc1noc(n1)-c1n(CCn2ccnc2)nc2ccccc12
Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)35-16-5-3-4-15(12-16)21(34)28-13-19-29-22(36-31-19)20-17-6-1-2-7-18(17)30-33(20)11-10-32-9-8-27-14-32/h1-9,12,14H,10-11,13H2,(H,28,34)
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n/an/a 2.55E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 assessed as inactivated-state block using double pulse protocol by patch-clamp electrophysiology/cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type I alpha subunit


(Homo sapiens)
BDBM50130529
PNG
(CHEMBL3634336)
Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N2Cc3ccccc3C2=O)cc1
Show InChI InChI=1/C23H28N2O4/c1-28-20-6-8-21(9-7-20)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-4-2-3-5-22(17)23(25)27/h2-9,18-19,26H,10-16H2,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130528
PNG
(CHEMBL3634335)
Show SMILES COc1cccc(OCC(O)CN2CCC(CC2)N2Cc3ccccc3C2=O)c1
Show InChI InChI=1/C23H28N2O4/c1-28-20-6-4-7-21(13-20)29-16-19(26)15-24-11-9-18(10-12-24)25-14-17-5-2-3-8-22(17)23(25)27/h2-8,13,18-19,26H,9-12,14-16H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130534
PNG
(CHEMBL3632694)
Show SMILES OC(COCc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C24H27F3N2O3/c25-24(26,27)19-7-5-17(6-8-19)15-32-16-21(30)14-28-11-9-20(10-12-28)29-13-18-3-1-2-4-22(18)23(29)31/h1-8,20-21,30H,9-16H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50169425
PNG
(CHEMBL3341983 | US9481677, 44)
Show SMILES Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-16(12(6-11)10-1-3-17-13(5-10)20(25)28-33-17)32-18-7-15(24)19(8-14(18)23)35(30,31)29-21-26-9-27-34-21/h1-9H,(H2,25,28)(H,26,27,29)
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n/an/a 3.08E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.1 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -40 mV by...


ACS Med Chem Lett 7: 277-82 (2016)

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


(Homo sapiens)
BDBM50130537
PNG
(CHEMBL3632697)
Show SMILES OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1/C22H25F3N2O3/c23-22(24,25)17-6-8-20(9-7-17)30-15-19(28)14-27-12-10-16(11-13-27)21(29)26-18-4-2-1-3-5-18/h1-9,16,19,28H,10-15H2,(H,26,29)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130522
PNG
(CHEMBL3634330)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)NC(=O)c1ccccc1
Show InChI InChI=1/C28H30N2O4/c31-24(19-30-17-15-23(16-18-30)29-28(33)22-11-5-2-6-12-22)20-34-26-14-8-7-13-25(26)27(32)21-9-3-1-4-10-21/h1-14,23-24,31H,15-20H2,(H,29,33)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130521
PNG
(CHEMBL3634329)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C29H30N2O4/c32-24(20-35-27-13-7-6-12-26(27)28(33)21-8-2-1-3-9-21)19-30-16-14-23(15-17-30)31-18-22-10-4-5-11-25(22)29(31)34/h1-13,23-24,32H,14-20H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130510
PNG
(CHEMBL3632698)
Show SMILES COc1cc(ccc1COCC(O)CN1CCC(CC1)C(=O)Nc1ccccc1)C(F)(F)F
Show InChI InChI=1/C24H29F3N2O4/c1-32-22-13-19(24(25,26)27)8-7-18(22)15-33-16-21(30)14-29-11-9-17(10-12-29)23(31)28-20-5-3-2-4-6-20/h2-8,13,17,21,30H,9-12,14-16H2,1H3,(H,28,31)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130523
PNG
(CHEMBL3634331)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1/C28H30N2O4/c31-24(19-30-17-15-22(16-18-30)28(33)29-23-11-5-2-6-12-23)20-34-26-14-8-7-13-25(26)27(32)21-9-3-1-4-10-21/h1-14,22,24,31H,15-20H2,(H,29,33)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130512
PNG
(CHEMBL3634322)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)COc12
Show InChI InChI=1/C29H30N2O5/c32-22(18-35-26-12-5-4-9-24(26)28(34)21-7-2-1-3-8-21)17-31-15-13-20(14-16-31)23-10-6-11-25-29(23)36-19-27(33)30-25/h1-12,20,22,32H,13-19H2,(H,30,33)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130530
PNG
(CHEMBL3634337)
Show SMILES OC(COc1ccccc1C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H25F3N2O3/c24-23(25,26)20-7-3-4-8-21(20)31-15-18(29)14-27-11-9-17(10-12-27)28-13-16-5-1-2-6-19(16)22(28)30/h1-8,17-18,29H,9-15H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50173135
PNG
(CHEMBL3809641)
Show SMILES Cc1noc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)n1
Show InChI InChI=1S/C17H12F3N5O3/c1-10-21-15(28-23-10)9-25-16(26)24-8-12(4-7-14(24)22-25)11-2-5-13(6-3-11)27-17(18,19)20/h2-8H,9H2,1H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Gilead Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of 10 Hz stimulated Nav1.1 (unknown origin) by manual patch clamp method


Bioorg Med Chem Lett 26: 3207-11 (2016)

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


(Homo sapiens)
BDBM50130518
PNG
(CHEMBL3634326)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)COc2ccccc12
Show InChI InChI=1/C29H30N2O5/c32-23(19-35-26-12-6-4-10-24(26)29(34)21-8-2-1-3-9-21)18-30-16-14-22(15-17-30)31-25-11-5-7-13-27(25)36-20-28(31)33/h1-13,22-23,32H,14-20H2
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n/an/a 4.80E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130519
PNG
(CHEMBL3634327)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)n1c2ccccc2oc1=O
Show InChI InChI=1/C28H28N2O5/c31-22(19-34-25-12-6-4-10-23(25)27(32)20-8-2-1-3-9-20)18-29-16-14-21(15-17-29)30-24-11-5-7-13-26(24)35-28(30)33/h1-13,21-22,31H,14-19H2
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n/an/a 5.40E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
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n/an/a 6.38E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.1 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -40 mV by...


ACS Med Chem Lett 7: 277-82 (2016)

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


(Homo sapiens)
BDBM50130514
PNG
(CHEMBL3634324)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)CCc12
Show InChI InChI=1/C30H32N2O4/c33-23(20-36-28-12-5-4-9-26(28)30(35)22-7-2-1-3-8-22)19-32-17-15-21(16-18-32)24-10-6-11-27-25(24)13-14-29(34)31-27/h1-12,21,23,33H,13-20H2,(H,31,34)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130526
PNG
(CHEMBL3634333)
Show SMILES OC(COc1ccccc1)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C22H26N2O3/c25-19(16-27-20-7-2-1-3-8-20)15-23-12-10-18(11-13-23)24-14-17-6-4-5-9-21(17)22(24)26/h1-9,18-19,25H,10-16H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50008745
PNG
(CHEMBL3236329)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)NCc1noc(n1)-c1n(CCn2ccnc2)nc2ccccc12
Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)35-16-5-3-4-15(12-16)21(34)28-13-19-29-22(36-31-19)20-17-6-1-2-7-18(17)30-33(20)11-10-32-9-8-27-14-32/h1-9,12,14H,10-11,13H2,(H,28,34)
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n/an/a 8.54E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 assessed as 10 Hz block using double pulse protocol by patch-clamp electrophysiology/cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type I alpha subunit


(Homo sapiens)
BDBM50173135
PNG
(CHEMBL3809641)
Show SMILES Cc1noc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)n1
Show InChI InChI=1S/C17H12F3N5O3/c1-10-21-15(28-23-10)9-25-16(26)24-8-12(4-7-14(24)22-25)11-2-5-13(6-3-11)27-17(18,19)20/h2-8H,9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Gilead Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of 1 Hz stimulated Nav1.1 (unknown origin) by manual patch clamp method


Bioorg Med Chem Lett 26: 3207-11 (2016)

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


(Homo sapiens)
BDBM50173134
PNG
(CHEMBL3809595)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F
Show InChI InChI=1S/C14H7F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-7H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Gilead Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of 1 Hz stimulated Nav1.1 (unknown origin) by manual patch clamp method


Bioorg Med Chem Lett 26: 3207-11 (2016)

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


(Homo sapiens)
BDBM50117271
PNG
(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Show SMILES CC(N)COc1c(C)cccc1C
Show InChI InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50095310
PNG
(CHEMBL3589894)
Show SMILES CNC(=O)c1ccc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H10Cl3N3O/c1-18-13(20)10-3-2-7(12(17)19-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 expressed in HEK293 cells by IonWorks Quattro selectivity assay


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type I alpha subunit


(Homo sapiens)
BDBM50008745
PNG
(CHEMBL3236329)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)NCc1noc(n1)-c1n(CCn2ccnc2)nc2ccccc12
Show InChI InChI=1S/C23H18F3N7O3/c24-23(25,26)35-16-5-3-4-15(12-16)21(34)28-13-19-29-22(36-31-19)20-17-6-1-2-7-18(17)30-33(20)11-10-32-9-8-27-14-32/h1-9,12,14H,10-11,13H2,(H,28,34)
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n/an/a 1.53E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 assessed as tonic block using double pulse protocol by patch-clamp electrophysiology/cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type I alpha subunit


(Homo sapiens)
BDBM50130527
PNG
(CHEMBL3634334)
Show SMILES COc1ccccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H28N2O4/c1-28-21-8-4-5-9-22(21)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-6-2-3-7-20(17)23(25)27/h2-9,18-19,26H,10-16H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50008746
PNG
(CHEMBL3236343)
Show SMILES O=C(NCc1noc(n1)-c1nn(CCn2ccnc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H19N7O2/c30-21(16-6-2-1-3-7-16)24-14-19-25-22(31-27-19)20-17-8-4-5-9-18(17)29(26-20)13-12-28-11-10-23-15-28/h1-11,15H,12-14H2,(H,24,30)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 assessed as inactivated-state block using double pulse protocol by patch-clamp electrophysiology/cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type I alpha subunit


(Homo sapiens)
BDBM50130513
PNG
(CHEMBL3634323)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2NC(=O)CCc12
Show InChI InChI=1/C29H31N3O4/c33-22(20-36-27-12-5-4-9-24(27)29(35)21-7-2-1-3-8-21)19-31-15-17-32(18-16-31)26-11-6-10-25-23(26)13-14-28(34)30-25/h1-12,22,33H,13-20H2,(H,30,34)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130520
PNG
(CHEMBL3634328)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)Cc2ccccc12
Show InChI InChI=1/C29H30N2O4/c32-24(20-35-27-13-7-5-11-25(27)29(34)21-8-2-1-3-9-21)19-30-16-14-23(15-17-30)31-26-12-6-4-10-22(26)18-28(31)33/h1-13,23-24,32H,14-20H2
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n/an/a 2.60E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130511
PNG
(CHEMBL3634321)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2NC(=O)COc12
Show InChI InChI=1/C28H29N3O5/c32-21(18-35-25-12-5-4-9-22(25)27(34)20-7-2-1-3-8-20)17-30-13-15-31(16-14-30)24-11-6-10-23-28(24)36-19-26(33)29-23/h1-12,21,32H,13-19H2,(H,29,33)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50130517
PNG
(CHEMBL3634325)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1/C27H27N3O5/c31-20(18-34-24-12-5-4-9-21(24)25(32)19-7-2-1-3-8-19)17-29-13-15-30(16-14-29)23-11-6-10-22-26(23)35-27(33)28-22/h1-12,20,31H,13-18H2,(H,28,33)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens)
BDBM50095311
PNG
(CHEMBL3589904)
Show SMILES COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2ccnn2C)nc1N
Show InChI InChI=1S/C17H16ClN5O2/c1-23-14(7-8-20-23)17(24)22-15-6-4-11(16(19)21-15)12-9-10(25-2)3-5-13(12)18/h3-9H,1-2H3,(H3,19,21,22,24)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 expressed in HEK293 cells by IonWorks Quattro selectivity assay


Citation and Details
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Ligand-Target Pair
Sodium channel protein type I alpha subunit


(Homo sapiens)
BDBM50008746
PNG
(CHEMBL3236343)
Show SMILES O=C(NCc1noc(n1)-c1nn(CCn2ccnc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H19N7O2/c30-21(16-6-2-1-3-7-16)24-14-19-25-22(31-27-19)20-17-8-4-5-9-18(17)29(26-20)13-12-28-11-10-23-15-28/h1-11,15H,12-14H2,(H,24,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 assessed as 10 Hz block using double pulse protocol by patch-clamp electrophysiology/cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type I alpha subunit


(Homo sapiens)
BDBM50008746
PNG
(CHEMBL3236343)
Show SMILES O=C(NCc1noc(n1)-c1nn(CCn2ccnc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H19N7O2/c30-21(16-6-2-1-3-7-16)24-14-19-25-22(31-27-19)20-17-8-4-5-9-18(17)29(26-20)13-12-28-11-10-23-15-28/h1-11,15H,12-14H2,(H,24,30)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 assessed as tonic block using double pulse protocol by patch-clamp electrophysiology/cell based assay


Citation and Details
More data for this
Ligand-Target Pair