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Compile Data Set for Download or QSAR

Found 433 hits of ic50 for UniProtKB: P35499   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50118519
PNG
(CHEMBL3617050)
Show SMILES [H][C@@]12C[C@]3(CN4C(=N)N[C@@]([H])(C(=O)N1OC[C@@H]2CO)[C@]1([H])N(COC(=O)NO)C(=N)N[C@]41C3(O)O)OS(O)(=O)=O |r|
Show InChI InChI=1S/C16H24N8O12S/c17-11-19-8-9-15(20-12(18)22(9)5-34-13(27)21-30)16(28,29)14(4-23(11)15,36-37(31,32)33)1-7-6(2-25)3-35-24(7)10(8)26/h6-9,25,28-30H,1-5H2,(H2,17,19)(H2,18,20)(H,21,27)(H,31,32,33)/t6-,7-,8+,9-,14+,15-/m0/s1
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n/an/a 0.0620n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NaV1.4 channel (unknown origin) expressed in Xenopus laevis oocytes by two-electrode oocyte voltage-clamp method


J Med Chem 58: 7093-118 (2015)


Article DOI: 10.1021/jm501981g
BindingDB Entry DOI: 10.7270/Q2XS5X6P
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM190233
PNG
(US9174999, Table 1, Compound 1)
Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r|
Show InChI InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00378
BindingDB Entry DOI: 10.7270/Q2SF3151
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50595862
PNG
(CHEMBL5189924)
Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3cc(ccc3C(F)(F)F)C(F)(F)F)C1(O)O)C(=N)N[C@H]2CO |r|
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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00378
BindingDB Entry DOI: 10.7270/Q2SF3151
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50595859
PNG
(CHEMBL5192731)
Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3ccccc3C(F)(F)F)C1(O)O)C(=N)N[C@H]2CO |r|
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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00378
BindingDB Entry DOI: 10.7270/Q2SF3151
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM70937
PNG
(US9546164, 100 | US9694002, 100)
Show SMILES C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length human Nav1.4 expressed in HEK cells by whole cell voltage clamp analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
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 |r,t:1,TLB:13:12:16:6.7.5,18:11:16:6.7.5,18:6:16:11.10.12,19:18:7:16.14.5,20:18:7:16.14.5,THB:12:11:7:16.14.5,3:5:16:11.10.12|
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 7.60n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells by electrophysiology assay


J Med Chem 62: 8695-8710 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01906
BindingDB Entry DOI: 10.7270/Q2M90CZD
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM145285
PNG
(US8952169, 64 | US9771376, Example 64)
Show SMILES Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
Show InChI InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
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n/an/a 8.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length human Nav1.4 expressed in HEK cells by whole cell voltage clamp analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00049
BindingDB Entry DOI: 10.7270/Q2WW7NKS
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50595863
PNG
(CHEMBL5184022)
Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3cccc4CCCc34)C1(O)O)C(=N)N[C@H]2CO |r|
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n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00378
BindingDB Entry DOI: 10.7270/Q2SF3151
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM190233
PNG
(US9174999, Table 1, Compound 1)
Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r|
Show InChI InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells by electrophysiology assay


J Med Chem 62: 8695-8710 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01906
BindingDB Entry DOI: 10.7270/Q2M90CZD
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50077469
PNG
(CHEMBL3416888)
Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@H](CC(N)=O)NC(=O)[C@]([H])(CSSC[C@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)CSSC[C@]([H])(NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](CCCNC(N)=C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450609
PNG
(CHEMBL4170712)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Cl)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
Show InChI InChI=1S/C162H245ClN48O40S6/c1-11-14-33-99-139(231)200-115(66-88-71-181-97-35-18-16-32-93(88)97)151(243)211-130(85(10)213)159(251)209-123-80-257-253-76-119-153(245)192-103(39-22-26-58-167)140(232)198-111(63-82(6)7)146(238)201-114(67-89-72-182-98-48-45-90(163)68-94(89)98)149(241)207-120(154(246)193-105(41-28-60-178-161(173)174)138(230)186-100(36-19-23-55-164)137(229)195-109(51-54-127(219)220)144(236)210-129(131(170)223)83(8)13-3)77-254-252-75-118(204-132(224)84(9)184-135(227)104(40-27-59-177-160(171)172)188-136(228)101(37-20-24-56-165)191-152(244)117(74-212)203-150(242)116(69-128(221)222)202-157(123)249)158(250)208-122(155(247)194-107(50-53-126(217)218)134(226)183-73-125(216)185-110(62-81(4)5)145(237)190-106(142(234)205-119)42-29-61-179-162(175)176)79-256-255-78-121(206-147(239)112(197-133(225)95(168)30-12-2)64-86-43-46-91(214)47-44-86)156(248)196-108(49-52-124(169)215)143(235)187-102(38-21-25-57-166)141(233)199-113(148(240)189-99)65-87-70-180-96-34-17-15-31-92(87)96/h2,15-18,31-32,34-35,43-48,68,70-72,81-85,95,99-123,129-130,180-182,212-214H,11,13-14,19-30,33,36-42,49-67,69,73-80,164-168H2,1,3-10H3,(H2,169,215)(H2,170,223)(H,183,226)(H,184,227)(H,185,216)(H,186,230)(H,187,235)(H,188,228)(H,189,240)(H,190,237)(H,191,244)(H,192,245)(H,193,246)(H,194,247)(H,195,229)(H,196,248)(H,197,225)(H,198,232)(H,199,233)(H,200,231)(H,201,238)(H,202,249)(H,203,242)(H,204,224)(H,205,234)(H,206,239)(H,207,241)(H,208,250)(H,209,251)(H,210,236)(H,211,243)(H,217,218)(H,219,220)(H,221,222)(H4,171,172,177)(H4,173,174,178)(H4,175,176,179)/t83-,84-,85+,95-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,129-,130-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450603
PNG
(CHEMBL4159473)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
Show InChI InChI=1S/C166H246N48O40S6/c1-9-11-38-104-143(234)204-120(73-94-77-185-102-41-20-17-37-98(94)102)155(246)214-134(89(8)216)163(254)213-128-85-260-256-81-124-157(248)196-108(45-24-28-64-170)144(235)202-116(69-87(5)6)150(241)205-119(72-93-76-184-101-40-19-16-36-97(93)101)153(244)211-125(158(249)197-110(47-30-66-181-165(176)177)142(233)190-105(42-21-25-61-167)141(232)199-114(57-60-132(222)223)147(238)189-103(135(173)226)54-51-90-33-13-12-14-34-90)82-257-255-80-123(208-136(227)88(7)187-139(230)109(46-29-65-180-164(174)175)192-140(231)106(43-22-26-62-168)195-156(247)122(79-215)207-154(245)121(74-133(224)225)206-161(128)252)162(253)212-127(159(250)198-112(56-59-131(220)221)138(229)186-78-130(219)188-115(68-86(3)4)149(240)194-111(146(237)209-124)48-31-67-182-166(178)179)84-259-258-83-126(210-151(242)117(201-137(228)99(171)32-10-2)70-91-49-52-95(217)53-50-91)160(251)200-113(55-58-129(172)218)148(239)191-107(44-23-27-63-169)145(236)203-118(152(243)193-104)71-92-75-183-100-39-18-15-35-96(92)100/h2,12-20,33-37,39-41,49-50,52-53,75-77,86-89,99,103-128,134,183-185,215-217H,9,11,21-32,38,42-48,51,54-74,78-85,167-171H2,1,3-8H3,(H2,172,218)(H2,173,226)(H,186,229)(H,187,230)(H,188,219)(H,189,238)(H,190,233)(H,191,239)(H,192,231)(H,193,243)(H,194,240)(H,195,247)(H,196,248)(H,197,249)(H,198,250)(H,199,232)(H,200,251)(H,201,228)(H,202,235)(H,203,236)(H,204,234)(H,205,241)(H,206,252)(H,207,245)(H,208,227)(H,209,237)(H,210,242)(H,211,244)(H,212,253)(H,213,254)(H,214,246)(H,220,221)(H,222,223)(H,224,225)(H4,174,175,180)(H4,176,177,181)(H4,178,179,182)/t88-,89+,99-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,134-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
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 |r,t:1,TLB:13:12:16:6.7.5,18:11:16:6.7.5,18:6:16:11.10.12,19:18:7:16.14.5,20:18:7:16.14.5,THB:12:11:7:16.14.5,3:5:16:11.10.12|
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 1.4 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50051073
PNG
(CHEMBL3318132)
Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50595856
PNG
(CHEMBL5205795)
Show SMILES [H][C@@]12NC(=N)N[C@]11N(CCC1(O)O)C(=N)N[C@H]2CO |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00378
BindingDB Entry DOI: 10.7270/Q2SF3151
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50595857
PNG
(CHEMBL5192925)
Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](OC(=O)c3ccc(F)cc3Cl)C1(O)O)C(=N)N[C@H]2CO |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00378
BindingDB Entry DOI: 10.7270/Q2SF3151
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450602
PNG
(CHEMBL4167379)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
Show InChI InChI=1S/C165H250N48O40S6/c1-9-11-38-102-142(233)203-119(72-93-76-184-101-41-20-17-37-97(93)101)154(245)213-133(88(8)215)162(253)212-127-84-259-255-80-123-156(247)194-106(45-24-28-62-169)143(234)201-115(67-86(5)6)149(240)204-118(71-92-75-183-100-40-19-16-36-96(92)100)152(243)210-124(157(248)195-108(47-30-64-180-164(175)176)141(232)188-103(42-21-25-59-166)140(231)197-112(55-58-131(221)222)147(238)199-113(134(172)225)68-89-33-13-12-14-34-89)81-256-254-79-122(207-135(226)87(7)186-138(229)107(46-29-63-179-163(173)174)190-139(230)104(43-22-26-60-167)193-155(246)121(78-214)206-153(244)120(73-132(223)224)205-160(127)251)161(252)211-126(158(249)196-110(54-57-130(219)220)137(228)185-77-129(218)187-114(66-85(3)4)148(239)192-109(145(236)208-123)48-31-65-181-165(177)178)83-258-257-82-125(209-150(241)116(200-136(227)98(170)32-10-2)69-90-49-51-94(216)52-50-90)159(250)198-111(53-56-128(171)217)146(237)189-105(44-23-27-61-168)144(235)202-117(151(242)191-102)70-91-74-182-99-39-18-15-35-95(91)99/h2,15-20,35-37,39-41,49-52,74-76,85-89,98,102-127,133,182-184,214-216H,9,11-14,21-34,38,42-48,53-73,77-84,166-170H2,1,3-8H3,(H2,171,217)(H2,172,225)(H,185,228)(H,186,229)(H,187,218)(H,188,232)(H,189,237)(H,190,230)(H,191,242)(H,192,239)(H,193,246)(H,194,247)(H,195,248)(H,196,249)(H,197,231)(H,198,250)(H,199,238)(H,200,227)(H,201,234)(H,202,235)(H,203,233)(H,204,240)(H,205,251)(H,206,244)(H,207,226)(H,208,236)(H,209,241)(H,210,243)(H,211,252)(H,212,253)(H,213,245)(H,219,220)(H,221,222)(H,223,224)(H4,173,174,179)(H4,175,176,180)(H4,177,178,181)/t87-,88+,98-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,133-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450610
PNG
(CHEMBL4160074)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5cc(Br)ccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
Show InChI InChI=1S/C162H245BrN48O40S6/c1-11-14-33-98-139(231)200-115(66-88-71-181-97-35-18-16-32-93(88)97)151(243)211-130(85(10)213)159(251)209-123-80-257-253-76-119-153(245)192-102(39-22-26-58-167)140(232)198-111(63-82(6)7)146(238)201-114(67-89-72-182-109-68-90(163)45-48-94(89)109)149(241)207-120(154(246)193-104(41-28-60-178-161(173)174)138(230)186-99(36-19-23-55-164)137(229)195-108(51-54-127(219)220)144(236)210-129(131(170)223)83(8)13-3)77-254-252-75-118(204-132(224)84(9)184-135(227)103(40-27-59-177-160(171)172)188-136(228)100(37-20-24-56-165)191-152(244)117(74-212)203-150(242)116(69-128(221)222)202-157(123)249)158(250)208-122(155(247)194-106(50-53-126(217)218)134(226)183-73-125(216)185-110(62-81(4)5)145(237)190-105(142(234)205-119)42-29-61-179-162(175)176)79-256-255-78-121(206-147(239)112(197-133(225)95(168)30-12-2)64-86-43-46-91(214)47-44-86)156(248)196-107(49-52-124(169)215)143(235)187-101(38-21-25-57-166)141(233)199-113(148(240)189-98)65-87-70-180-96-34-17-15-31-92(87)96/h2,15-18,31-32,34-35,43-48,68,70-72,81-85,95,98-108,110-123,129-130,180-182,212-214H,11,13-14,19-30,33,36-42,49-67,69,73-80,164-168H2,1,3-10H3,(H2,169,215)(H2,170,223)(H,183,226)(H,184,227)(H,185,216)(H,186,230)(H,187,235)(H,188,228)(H,189,240)(H,190,237)(H,191,244)(H,192,245)(H,193,246)(H,194,247)(H,195,229)(H,196,248)(H,197,225)(H,198,232)(H,199,233)(H,200,231)(H,201,238)(H,202,249)(H,203,242)(H,204,224)(H,205,234)(H,206,239)(H,207,241)(H,208,250)(H,209,251)(H,210,236)(H,211,243)(H,217,218)(H,219,220)(H,221,222)(H4,171,172,177)(H4,173,174,178)(H4,175,176,179)/t83-,84-,85+,95-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,129-,130-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50595858
PNG
(CHEMBL5204844)
Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](OC(=O)c3ccccc3C(F)(F)F)C1(O)O)C(=N)N[C@H]2CO |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00378
BindingDB Entry DOI: 10.7270/Q2SF3151
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450597
PNG
(CHEMBL4160943)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
Show InChI InChI=1S/C160H245N47O40S6/c1-11-14-38-97-137(227)196-113(70-90-73-178-96-40-21-19-37-93(90)96)149(239)207-128(86(10)209)157(247)205-121-81-253-249-77-117-151(241)188-101(44-25-29-61-164)138(228)194-109(66-83(6)7)144(234)197-112(69-89-72-177-95-39-20-18-36-92(89)95)147(237)203-118(152(242)189-103(46-31-63-175-159(170)171)136(226)182-98(41-22-26-58-161)135(225)191-107(54-57-125(215)216)142(232)206-127(129(167)219)84(8)13-3)78-250-248-76-116(200-130(220)85(9)180-133(223)102(45-30-62-174-158(168)169)184-134(224)99(42-23-27-59-162)187-150(240)115(75-208)199-148(238)114(71-126(217)218)198-155(121)245)156(246)204-120(153(243)190-105(53-56-124(213)214)132(222)179-74-123(212)181-108(65-82(4)5)143(233)186-104(140(230)201-117)47-32-64-176-160(172)173)80-252-251-79-119(202-146(236)110(193-131(221)94(165)33-12-2)68-88-48-50-91(210)51-49-88)154(244)192-106(52-55-122(166)211)141(231)183-100(43-24-28-60-163)139(229)195-111(145(235)185-97)67-87-34-16-15-17-35-87/h2,15-21,34-37,39-40,48-51,72-73,82-86,94,97-121,127-128,177-178,208-210H,11,13-14,22-33,38,41-47,52-71,74-81,161-165H2,1,3-10H3,(H2,166,211)(H2,167,219)(H,179,222)(H,180,223)(H,181,212)(H,182,226)(H,183,231)(H,184,224)(H,185,235)(H,186,233)(H,187,240)(H,188,241)(H,189,242)(H,190,243)(H,191,225)(H,192,244)(H,193,221)(H,194,228)(H,195,229)(H,196,227)(H,197,234)(H,198,245)(H,199,238)(H,200,220)(H,201,230)(H,202,236)(H,203,237)(H,204,246)(H,205,247)(H,206,232)(H,207,239)(H,213,214)(H,215,216)(H,217,218)(H4,168,169,174)(H4,170,171,175)(H4,172,173,176)/t84-,85-,86+,94-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,127-,128-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450580
PNG
(CHEMBL4169884)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
Show InChI InChI=1S/C162H245BrN48O40S6/c1-11-14-33-99-139(231)200-115(66-88-71-181-97-35-18-16-32-93(88)97)151(243)211-130(85(10)213)159(251)209-123-80-257-253-76-119-153(245)192-103(39-22-26-58-167)140(232)198-111(63-82(6)7)146(238)201-114(67-89-72-182-98-48-45-90(163)68-94(89)98)149(241)207-120(154(246)193-105(41-28-60-178-161(173)174)138(230)186-100(36-19-23-55-164)137(229)195-109(51-54-127(219)220)144(236)210-129(131(170)223)83(8)13-3)77-254-252-75-118(204-132(224)84(9)184-135(227)104(40-27-59-177-160(171)172)188-136(228)101(37-20-24-56-165)191-152(244)117(74-212)203-150(242)116(69-128(221)222)202-157(123)249)158(250)208-122(155(247)194-107(50-53-126(217)218)134(226)183-73-125(216)185-110(62-81(4)5)145(237)190-106(142(234)205-119)42-29-61-179-162(175)176)79-256-255-78-121(206-147(239)112(197-133(225)95(168)30-12-2)64-86-43-46-91(214)47-44-86)156(248)196-108(49-52-124(169)215)143(235)187-102(38-21-25-57-166)141(233)199-113(148(240)189-99)65-87-70-180-96-34-17-15-31-92(87)96/h2,15-18,31-32,34-35,43-48,68,70-72,81-85,95,99-123,129-130,180-182,212-214H,11,13-14,19-30,33,36-42,49-67,69,73-80,164-168H2,1,3-10H3,(H2,169,215)(H2,170,223)(H,183,226)(H,184,227)(H,185,216)(H,186,230)(H,187,235)(H,188,228)(H,189,240)(H,190,237)(H,191,244)(H,192,245)(H,193,246)(H,194,247)(H,195,229)(H,196,248)(H,197,225)(H,198,232)(H,199,233)(H,200,231)(H,201,238)(H,202,249)(H,203,242)(H,204,224)(H,205,234)(H,206,239)(H,207,241)(H,208,250)(H,209,251)(H,210,236)(H,211,243)(H,217,218)(H,219,220)(H,221,222)(H4,171,172,177)(H4,173,174,178)(H4,175,176,179)/t83-,84-,85+,95-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,129-,130-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50164184
PNG
(CHEMBL3798824)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C180H273N53O44S7/c1-13-95(10)143-177(277)233-66-37-56-134(233)172(272)219-125(79-140(243)244)161(261)216-122(76-135(186)236)158(258)217-124(78-139(241)242)160(260)206-110(51-27-31-61-184)152(252)223-130-87-282-280-85-128(165(265)208-108(49-25-29-59-182)150(250)214-119(72-100-44-32-43-99-42-20-21-45-103(99)100)163(263)229-141(93(6)7)173(273)211-115(145(188)245)70-97-38-16-14-17-39-97)225-156(256)120(73-101-80-199-106-47-23-22-46-104(101)106)215-149(249)107(48-24-28-58-181)205-157(257)121(74-102-81-195-90-201-102)220-175(275)144(96(11)235)231-154(254)112(53-34-63-197-179(191)192)207-164(264)126(83-234)221-168(268)131-88-283-284-89-132(170(270)230-143)224-151(251)109(50-26-30-60-183)203-148(248)111(52-33-62-196-178(189)190)204-153(253)113(57-67-278-12)209-155(255)118(71-98-40-18-15-19-41-98)202-137(238)82-200-147(247)116(68-91(2)3)212-167(267)127(222-146(246)105(185)75-138(239)240)84-279-281-86-129(226-169(130)269)166(266)210-114(54-35-64-198-180(193)194)176(276)232-65-36-55-133(232)171(271)218-123(77-136(187)237)159(259)213-117(69-92(4)5)162(262)228-142(94(8)9)174(274)227-131/h14-23,32,38-47,80-81,90-96,105,107-134,141-144,199,234-235H,13,24-31,33-37,48-79,82-89,181-185H2,1-12H3,(H2,186,236)(H2,187,237)(H2,188,245)(H,195,201)(H,200,247)(H,202,238)(H,203,248)(H,204,253)(H,205,257)(H,206,260)(H,207,264)(H,208,265)(H,209,255)(H,210,266)(H,211,273)(H,212,267)(H,213,259)(H,214,250)(H,215,249)(H,216,261)(H,217,258)(H,218,271)(H,219,272)(H,220,275)(H,221,268)(H,222,246)(H,223,252)(H,224,251)(H,225,256)(H,226,269)(H,227,274)(H,228,262)(H,229,263)(H,230,270)(H,231,254)(H,239,240)(H,241,242)(H,243,244)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t95-,96+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,141-,142-,143-,144-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells by whole cell patch clamp electrophysiology method


J Med Chem 59: 2704-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50077805
PNG
(CHEMBL3416931)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C177H273N53O45S6/c1-13-15-42-104-145(246)201-109(48-32-61-193-175(186)187)146(247)200-107(46-26-30-59-180)149(250)221-129-87-281-280-86-128-165(266)218-123(81-231)161(262)205-110(49-33-62-194-176(188)189)151(252)228-141(94(12)232)172(273)217-118(72-99-79-192-88-198-99)154(255)203-105(44-24-28-57-178)148(249)212-117(71-98-78-196-103-43-23-22-41-101(98)103)153(254)222-125(162(263)206-106(45-25-29-58-179)147(248)211-116(70-97-53-55-100(233)56-54-97)160(261)226-138(91(7)8)170(271)208-112(142(185)243)68-95-37-18-16-19-38-95)83-277-279-85-127(220-150(251)108(47-27-31-60-181)204-157(258)121(76-136(239)240)214-155(256)119(74-132(183)234)213-158(259)122(77-137(241)242)216-169(270)131-52-36-65-230(131)174(275)140(93(11)14-2)227-167(129)268)166(267)223-126(84-278-276-82-124(219-143(244)102(182)73-135(237)238)164(265)209-113(66-89(3)4)144(245)197-80-134(236)199-115(152(253)202-104)69-96-39-20-17-21-40-96)163(264)207-111(50-34-63-195-177(190)191)173(274)229-64-35-51-130(229)168(269)215-120(75-133(184)235)156(257)210-114(67-90(5)6)159(260)225-139(92(9)10)171(272)224-128/h16-23,37-41,43,53-56,78-79,88-94,102,104-131,138-141,196,231-233H,13-15,24-36,42,44-52,57-77,80-87,178-182H2,1-12H3,(H2,183,234)(H2,184,235)(H2,185,243)(H,192,198)(H,197,245)(H,199,236)(H,200,247)(H,201,246)(H,202,253)(H,203,255)(H,204,258)(H,205,262)(H,206,263)(H,207,264)(H,208,271)(H,209,265)(H,210,257)(H,211,248)(H,212,249)(H,213,259)(H,214,256)(H,215,269)(H,216,270)(H,217,273)(H,218,266)(H,219,244)(H,220,251)(H,221,250)(H,222,254)(H,223,267)(H,224,272)(H,225,260)(H,226,261)(H,227,268)(H,228,252)(H,237,238)(H,239,240)(H,241,242)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,94+,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,138-,139-,140-,141-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450583
PNG
(CHEMBL4174312)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r|
Show InChI InChI=1S/C157H238BrN47O43S6/c1-11-14-31-93-134(228)194-108(61-82-66-175-90-33-18-16-30-86(82)90)146(240)205-125(80(10)207)154(248)203-116-75-254-251-71-112-148(242)186-96(36-21-24-54-161)135(229)192-105(59-77(6)7)142(236)195-107(62-83-67-176-91-42-40-84(158)63-87(83)91)144(238)201-114(149(243)187-98(38-26-56-172-156(167)168)133(227)181-94(34-19-22-52-159)132(226)189-103(46-51-122(216)217)140(234)204-124(126(164)220)78(8)13-3)73-252-249-70-111(198-127(221)79(9)178-130(224)97(37-25-55-171-155(165)166)183-139(233)102(45-50-121(214)215)190-147(241)110(69-206)197-145(239)109(64-123(218)219)196-152(116)246)153(247)202-115(150(244)188-100(44-49-120(212)213)129(223)177-68-118(209)179-104(58-76(4)5)141(235)185-99(137(231)200-112)39-27-57-173-157(169)170)74-253-250-72-113(199-131(225)92(28-12-2)180-128(222)88(162)41-48-119(210)211)151(245)191-101(43-47-117(163)208)138(232)182-95(35-20-23-53-160)136(230)193-106(143(237)184-93)60-81-65-174-89-32-17-15-29-85(81)89/h2,15-18,29-30,32-33,40,42,63,65-67,76-80,88,92-116,124-125,174-176,206-207H,11,13-14,19-28,31,34-39,41,43-62,64,68-75,159-162H2,1,3-10H3,(H2,163,208)(H2,164,220)(H,177,223)(H,178,224)(H,179,209)(H,180,222)(H,181,227)(H,182,232)(H,183,233)(H,184,237)(H,185,235)(H,186,242)(H,187,243)(H,188,244)(H,189,226)(H,190,241)(H,191,245)(H,192,229)(H,193,230)(H,194,228)(H,195,236)(H,196,246)(H,197,239)(H,198,221)(H,199,225)(H,200,231)(H,201,238)(H,202,247)(H,203,248)(H,204,234)(H,205,240)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H4,165,166,171)(H4,167,168,172)(H4,169,170,173)/t78-,79-,80+,88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,124-,125-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50595861
PNG
(CHEMBL5204544)
Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3ccc(cc3C(F)(F)F)C(F)(F)F)C1(O)O)C(=N)N[C@H]2CO |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 75n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00378
BindingDB Entry DOI: 10.7270/Q2SF3151
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50051073
PNG
(CHEMBL3318132)
Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells by electrophysiology assay


J Med Chem 62: 8695-8710 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01906
BindingDB Entry DOI: 10.7270/Q2M90CZD
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450590
PNG
(CHEMBL4163637)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r|
Show InChI InChI=1S/C160H245BrN48O42S6/c1-11-14-33-96-138(232)199-112(65-85-70-179-93-35-18-16-32-89(85)93)150(244)209-128(83(10)210)157(251)207-119-78-257-254-74-115-151(245)191-100(39-22-26-58-165)139(233)197-109(63-80(6)7)146(240)200-111(66-86-71-180-94-45-43-87(161)67-90(86)94)148(242)205-117(152(246)192-102(41-28-60-176-159(171)172)137(231)185-98(37-20-24-56-163)136(230)194-107(49-54-125(219)220)144(238)208-127(129(168)223)81(8)13-3)76-255-252-73-114(202-130(224)82(9)182-133(227)101(40-27-59-175-158(169)170)188-135(229)97(36-19-23-55-162)186-143(237)106(48-53-124(217)218)195-149(243)113(68-126(221)222)201-155(119)249)156(250)206-118(153(247)193-104(47-52-123(215)216)132(226)181-72-121(212)183-108(62-79(4)5)145(239)190-103(141(235)204-115)42-29-61-177-160(173)174)77-256-253-75-116(203-134(228)95(30-12-2)184-131(225)91(166)44-51-122(213)214)154(248)196-105(46-50-120(167)211)142(236)187-99(38-21-25-57-164)140(234)198-110(147(241)189-96)64-84-69-178-92-34-17-15-31-88(84)92/h2,15-18,31-32,34-35,43,45,67,69-71,79-83,91,95-119,127-128,178-180,210H,11,13-14,19-30,33,36-42,44,46-66,68,72-78,162-166H2,1,3-10H3,(H2,167,211)(H2,168,223)(H,181,226)(H,182,227)(H,183,212)(H,184,225)(H,185,231)(H,186,237)(H,187,236)(H,188,229)(H,189,241)(H,190,239)(H,191,245)(H,192,246)(H,193,247)(H,194,230)(H,195,243)(H,196,248)(H,197,233)(H,198,234)(H,199,232)(H,200,240)(H,201,249)(H,202,224)(H,203,228)(H,204,235)(H,205,242)(H,206,250)(H,207,251)(H,208,238)(H,209,244)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H4,169,170,175)(H4,171,172,176)(H4,173,174,177)/t81-,82-,83+,91-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,127-,128-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50077803
PNG
(CHEMBL3416933)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C180H277N53O45S6/c1-12-95(10)143-177(278)233-66-36-53-134(233)172(273)219-125(79-140(244)245)161(262)216-122(76-135(186)237)158(259)217-124(78-139(242)243)160(261)205-110(48-27-31-61-184)152(253)223-130-87-282-280-85-128(165(266)208-108(46-25-29-59-182)149(250)213-119(72-100-54-56-103(236)57-55-100)163(264)229-141(93(6)7)173(274)210-114(145(188)246)69-97-37-16-13-17-38-97)225-156(257)120(73-101-80-199-106-44-23-22-43-104(101)106)215-150(251)107(45-24-28-58-181)204-157(258)121(74-102-81-195-90-201-102)220-175(276)144(96(11)235)231-153(254)112(50-33-63-197-179(191)192)207-164(265)126(83-234)221-168(269)131-88-283-284-89-132(170(271)230-143)224-151(252)109(47-26-30-60-183)203-148(249)111(49-32-62-196-178(189)190)206-155(256)118(71-99-41-20-15-21-42-99)214-154(255)117(70-98-39-18-14-19-40-98)202-137(239)82-200-147(248)115(67-91(2)3)211-167(268)127(222-146(247)105(185)75-138(240)241)84-279-281-86-129(226-169(130)270)166(267)209-113(51-34-64-198-180(193)194)176(277)232-65-35-52-133(232)171(272)218-123(77-136(187)238)159(260)212-116(68-92(4)5)162(263)228-142(94(8)9)174(275)227-131/h13-14,16-19,22-23,37-40,43-44,54-57,80-81,90-96,99,105,107-134,141-144,199,234-236H,12,15,20-21,24-36,41-42,45-53,58-79,82-89,181-185H2,1-11H3,(H2,186,237)(H2,187,238)(H2,188,246)(H,195,201)(H,200,248)(H,202,239)(H,203,249)(H,204,258)(H,205,261)(H,206,256)(H,207,265)(H,208,266)(H,209,267)(H,210,274)(H,211,268)(H,212,260)(H,213,250)(H,214,255)(H,215,251)(H,216,262)(H,217,259)(H,218,272)(H,219,273)(H,220,276)(H,221,269)(H,222,247)(H,223,253)(H,224,252)(H,225,257)(H,226,270)(H,227,275)(H,228,263)(H,229,264)(H,230,271)(H,231,254)(H,240,241)(H,242,243)(H,244,245)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t95-,96+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,141-,142-,143-,144-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450601
PNG
(CHEMBL4162835)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
Show InChI InChI=1S/C167H245N49O40S6/c1-9-11-36-104-144(236)206-121(71-93-76-187-103-40-19-15-35-98(93)103)156(248)216-135(88(8)218)164(256)215-129-84-262-258-80-125-158(250)197-108(44-23-27-61-171)145(237)204-117(66-86(5)6)151(243)207-120(70-92-75-186-102-39-18-14-34-97(92)102)154(246)213-126(159(251)198-110(46-29-63-182-166(177)178)143(235)191-105(41-20-24-58-168)142(234)200-114(54-57-133(224)225)149(241)202-115(136(174)228)68-90-73-184-100-37-16-12-32-95(90)100)81-259-257-79-124(210-137(229)87(7)189-140(232)109(45-28-62-181-165(175)176)193-141(233)106(42-21-25-59-169)196-157(249)123(78-217)209-155(247)122(72-134(226)227)208-162(129)254)163(255)214-128(160(252)199-112(53-56-132(222)223)139(231)188-77-131(221)190-116(65-85(3)4)150(242)195-111(147(239)211-125)47-30-64-183-167(179)180)83-261-260-82-127(212-152(244)118(203-138(230)99(172)31-10-2)67-89-48-50-94(219)51-49-89)161(253)201-113(52-55-130(173)220)148(240)192-107(43-22-26-60-170)146(238)205-119(153(245)194-104)69-91-74-185-101-38-17-13-33-96(91)101/h2,12-19,32-35,37-40,48-51,73-76,85-88,99,104-129,135,184-187,217-219H,9,11,20-31,36,41-47,52-72,77-84,168-172H2,1,3-8H3,(H2,173,220)(H2,174,228)(H,188,231)(H,189,232)(H,190,221)(H,191,235)(H,192,240)(H,193,233)(H,194,245)(H,195,242)(H,196,249)(H,197,250)(H,198,251)(H,199,252)(H,200,234)(H,201,253)(H,202,241)(H,203,230)(H,204,237)(H,205,238)(H,206,236)(H,207,243)(H,208,254)(H,209,247)(H,210,229)(H,211,239)(H,212,244)(H,213,246)(H,214,255)(H,215,256)(H,216,248)(H,222,223)(H,224,225)(H,226,227)(H4,175,176,181)(H4,177,178,182)(H4,179,180,183)/t87-,88+,99-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,135-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 92n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50051088
PNG
(CHEMBL3318147)
Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 93n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Nav1.4 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -95 mV by whole-cell Qube-automat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01570
BindingDB Entry DOI: 10.7270/Q2NG4VJC
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50077810
PNG
(CHEMBL3416930)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccc(cc3)-c3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C182H275N53O45S7/c1-13-96(10)145-179(280)235-67-34-49-136(235)174(275)221-127(80-142(246)247)163(264)218-124(77-137(188)239)160(261)219-126(79-141(244)245)162(263)208-112(44-25-29-62-186)154(255)225-132-88-285-283-86-130(167(268)210-110(42-23-27-60-184)151(252)216-121(73-100-52-56-105(238)57-53-100)165(266)231-143(94(6)7)175(276)213-117(147(190)248)71-98-35-16-14-17-36-98)227-158(259)122(74-103-81-201-108-40-21-20-39-106(103)108)217-152(253)109(41-22-26-59-183)207-159(260)123(75-104-82-197-91-203-104)222-177(278)146(97(11)237)233-156(257)114(46-31-64-199-181(193)194)209-166(267)128(84-236)223-170(271)133-89-286-287-90-134(172(273)232-145)226-153(254)111(43-24-28-61-185)205-150(251)113(45-30-63-198-180(191)192)206-155(256)115(58-68-281-12)211-157(258)120(72-99-50-54-102(55-51-99)101-37-18-15-19-38-101)204-139(241)83-202-149(250)118(69-92(2)3)214-169(270)129(224-148(249)107(187)76-140(242)243)85-282-284-87-131(228-171(132)272)168(269)212-116(47-32-65-200-182(195)196)178(279)234-66-33-48-135(234)173(274)220-125(78-138(189)240)161(262)215-119(70-93(4)5)164(265)230-144(95(8)9)176(277)229-133/h14-21,35-40,50-57,81-82,91-97,107,109-136,143-146,201,236-238H,13,22-34,41-49,58-80,83-90,183-187H2,1-12H3,(H2,188,239)(H2,189,240)(H2,190,248)(H,197,203)(H,202,250)(H,204,241)(H,205,251)(H,206,256)(H,207,260)(H,208,263)(H,209,267)(H,210,268)(H,211,258)(H,212,269)(H,213,276)(H,214,270)(H,215,262)(H,216,252)(H,217,253)(H,218,264)(H,219,261)(H,220,274)(H,221,275)(H,222,278)(H,223,271)(H,224,249)(H,225,255)(H,226,254)(H,227,259)(H,228,272)(H,229,277)(H,230,265)(H,231,266)(H,232,273)(H,233,257)(H,242,243)(H,244,245)(H,246,247)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/t96-,97+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,143-,144-,145-,146-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50077833
PNG
(CHEMBL3416926)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C176H277N53O45S7/c1-13-92(10)139-173(274)229-63-34-49-130(229)168(269)215-121(76-136(240)241)157(258)212-118(73-131(182)233)154(255)213-120(75-135(238)239)156(257)202-106(44-25-29-58-180)148(249)219-126-84-279-277-82-124(161(262)204-104(42-23-27-56-178)145(246)210-115(69-96-50-52-99(232)53-51-96)159(260)225-137(90(6)7)169(270)207-111(141(184)242)67-94-35-16-14-17-36-94)221-152(253)116(70-97-77-195-102-40-21-20-39-100(97)102)211-146(247)103(41-22-26-55-177)201-153(254)117(71-98-78-191-87-197-98)216-171(272)140(93(11)231)227-150(251)108(46-31-60-193-175(187)188)203-160(261)122(80-230)217-164(265)127-85-280-281-86-128(166(267)226-139)220-147(248)105(43-24-28-57-179)199-144(245)107(45-30-59-192-174(185)186)200-149(250)109(54-64-275-12)205-151(252)114(68-95-37-18-15-19-38-95)198-133(235)79-196-143(244)112(65-88(2)3)208-163(264)123(218-142(243)101(181)72-134(236)237)81-276-278-83-125(222-165(126)266)162(263)206-110(47-32-61-194-176(189)190)172(273)228-62-33-48-129(228)167(268)214-119(74-132(183)234)155(256)209-113(66-89(4)5)158(259)224-138(91(8)9)170(271)223-127/h14,16-17,20-21,35-36,39-40,50-53,77-78,87-93,95,101,103-130,137-140,195,230-232H,13,15,18-19,22-34,37-38,41-49,54-76,79-86,177-181H2,1-12H3,(H2,182,233)(H2,183,234)(H2,184,242)(H,191,197)(H,196,244)(H,198,235)(H,199,245)(H,200,250)(H,201,254)(H,202,257)(H,203,261)(H,204,262)(H,205,252)(H,206,263)(H,207,270)(H,208,264)(H,209,256)(H,210,246)(H,211,247)(H,212,258)(H,213,255)(H,214,268)(H,215,269)(H,216,272)(H,217,265)(H,218,243)(H,219,249)(H,220,248)(H,221,253)(H,222,266)(H,223,271)(H,224,259)(H,225,260)(H,226,267)(H,227,251)(H,236,237)(H,238,239)(H,240,241)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t92-,93+,101-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,137-,138-,139-,140-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450582
PNG
(CHEMBL4167720)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C)[C@@H](C)O |r|
Show InChI InChI=1S/C162H246N48O40S6/c1-10-14-37-99-140(231)199-114(69-89-73-180-97-40-20-17-35-93(89)97)149(240)206-120(154(245)193-106(47-31-64-177-161(172)173)139(230)186-101(42-22-26-59-163)138(229)195-110(55-58-127(218)219)145(236)209-129(131(169)222)84(7)13-4)79-253-251-77-118-158(249)207-122-81-255-254-80-121(205-147(238)112(197-133(224)95(167)33-12-3)67-87-49-51-91(213)52-50-87)156(247)196-109(53-56-124(168)214)144(235)187-104(45-25-29-62-166)142(233)198-113(68-88-72-179-96-39-19-16-34-92(88)96)148(239)189-100(38-15-11-2)141(232)200-115(70-90-74-181-98-41-21-18-36-94(90)98)151(242)210-130(86(9)212)159(250)208-123(157(248)201-116(71-128(220)221)150(241)202-117(76-211)152(243)191-102(43-23-27-60-164)136(227)188-105(46-30-63-176-160(170)171)135(226)183-85(8)132(223)203-118)82-256-252-78-119(153(244)192-103(137(228)185-99)44-24-28-61-165)204-143(234)107(48-32-65-178-162(174)175)190-146(237)111(66-83(5)6)184-125(215)75-182-134(225)108(194-155(122)246)54-57-126(216)217/h3,16-21,34-36,39-41,49-52,72-74,83-86,95,99-123,129-130,179-181,211-213H,10-11,13-15,22-33,37-38,42-48,53-71,75-82,163-167H2,1-2,4-9H3,(H2,168,214)(H2,169,222)(H,182,225)(H,183,226)(H,184,215)(H,185,228)(H,186,230)(H,187,235)(H,188,227)(H,189,239)(H,190,237)(H,191,243)(H,192,244)(H,193,245)(H,194,246)(H,195,229)(H,196,247)(H,197,224)(H,198,233)(H,199,231)(H,200,232)(H,201,248)(H,202,241)(H,203,223)(H,204,234)(H,205,238)(H,206,240)(H,207,249)(H,208,250)(H,209,236)(H,210,242)(H,216,217)(H,218,219)(H,220,221)(H4,170,171,176)(H4,172,173,177)(H4,174,175,178)/t84-,85-,86+,95-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,129-,130-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 102n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450581
PNG
(CHEMBL4159169)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r|
Show InChI InChI=1S/C155H236BrN47O41S6/c1-12-15-32-93-133(225)192-107(60-82-65-173-90-34-19-17-31-86(82)90)144(236)203-123(80(11)205)152(244)201-115-74-250-247-70-111-146(238)185-96(37-22-25-53-159)134(226)190-104(58-76(6)7)140(232)193-106(61-83-66-174-91-43-41-84(156)62-87(83)91)142(234)199-113(147(239)186-98(39-27-55-170-154(165)166)132(224)181-94(35-20-23-51-157)131(223)188-102(46-50-120(212)213)138(230)202-122(124(162)216)77(8)14-3)72-248-245-69-110(196-126(218)79(10)176-129(221)97(38-26-54-169-153(163)164)179-125(217)78(9)177-145(237)109(68-204)195-143(235)108(63-121(214)215)194-150(115)242)151(243)200-114(148(240)187-100(45-49-119(210)211)128(220)175-67-117(207)178-103(57-75(4)5)139(231)184-99(136(228)198-111)40-28-56-171-155(167)168)73-249-246-71-112(197-130(222)92(29-13-2)180-127(219)88(160)42-48-118(208)209)149(241)189-101(44-47-116(161)206)137(229)182-95(36-21-24-52-158)135(227)191-105(141(233)183-93)59-81-64-172-89-33-18-16-30-85(81)89/h2,16-19,30-31,33-34,41,43,62,64-66,75-80,88,92-115,122-123,172-174,204-205H,12,14-15,20-29,32,35-40,42,44-61,63,67-74,157-160H2,1,3-11H3,(H2,161,206)(H2,162,216)(H,175,220)(H,176,221)(H,177,237)(H,178,207)(H,179,217)(H,180,219)(H,181,224)(H,182,229)(H,183,233)(H,184,231)(H,185,238)(H,186,239)(H,187,240)(H,188,223)(H,189,241)(H,190,226)(H,191,227)(H,192,225)(H,193,232)(H,194,242)(H,195,235)(H,196,218)(H,197,222)(H,198,228)(H,199,234)(H,200,243)(H,201,244)(H,202,230)(H,203,236)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,163,164,169)(H4,165,166,170)(H4,167,168,171)/t77-,78-,79-,80+,88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,122-,123-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50077779
PNG
(CHEMBL3416944)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C178H276N56O44S7/c1-12-94(10)141-174(278)234-65-34-50-132(234)170(274)222-123(78-138(244)245)159(263)219-120(75-133(184)237)156(260)220-122(77-137(242)243)158(262)208-107(44-24-28-59-182)151(255)225-128-86-283-281-84-126(163(267)210-105(42-22-26-57-180)147(251)216-117(71-97-51-53-100(236)54-52-97)161(265)231-139(92(6)7)171(275)213-113(142(186)246)69-95-35-15-13-16-36-95)227-154(258)118(72-98-79-200-103-40-20-19-39-101(98)103)217-148(252)104(41-21-25-56-179)207-155(259)119(73-99-80-195-89-202-99)218-149(253)110(47-31-62-198-177(191)192)205-146(250)109(46-30-61-197-176(189)190)209-162(266)124(82-235)223-166(270)129-87-284-285-88-130(168(272)232-141)226-150(254)106(43-23-27-58-181)204-145(249)108(45-29-60-196-175(187)188)206-152(256)111(55-66-279-11)211-153(257)116(70-96-37-17-14-18-38-96)203-135(239)81-201-144(248)114(67-90(2)3)214-165(269)125(224-143(247)102(183)74-136(240)241)83-280-282-85-127(228-167(128)271)164(268)212-112(48-32-63-199-178(193)194)173(277)233-64-33-49-131(233)169(273)221-121(76-134(185)238)157(261)215-115(68-91(4)5)160(264)230-140(93(8)9)172(276)229-129/h13-20,35-40,51-54,79-80,89-94,102,104-132,139-141,200,235-236H,12,21-34,41-50,55-78,81-88,179-183H2,1-11H3,(H2,184,237)(H2,185,238)(H2,186,246)(H,195,202)(H,201,248)(H,203,239)(H,204,249)(H,205,250)(H,206,256)(H,207,259)(H,208,262)(H,209,266)(H,210,267)(H,211,257)(H,212,268)(H,213,275)(H,214,269)(H,215,261)(H,216,251)(H,217,252)(H,218,253)(H,219,263)(H,220,260)(H,221,273)(H,222,274)(H,223,270)(H,224,247)(H,225,255)(H,226,254)(H,227,258)(H,228,271)(H,229,276)(H,230,264)(H,231,265)(H,232,272)(H,240,241)(H,242,243)(H,244,245)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t94-,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,139-,140-,141-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50077787
PNG
(CHEMBL3416937)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C184H273N53O45S6/c1-12-97(10)147-181(282)237-68-36-55-138(237)176(277)223-129(81-144(248)249)165(266)220-126(78-139(190)241)162(263)221-128(80-143(246)247)164(265)209-114(50-26-30-63-188)156(257)227-134-89-286-284-87-132(169(270)212-112(48-24-28-61-186)153(254)217-122(73-101-56-58-106(240)59-57-101)167(268)233-145(95(6)7)177(278)214-118(149(192)250)71-99-37-15-13-16-38-99)229-160(261)124(75-104-82-203-110-46-22-21-45-108(104)110)218-154(255)111(47-23-27-60-185)208-161(262)125(76-105-83-199-92-205-105)224-179(280)148(98(11)239)235-157(258)116(52-33-65-201-183(195)196)211-168(269)130(85-238)225-172(273)135-90-287-288-91-136(174(275)234-147)228-155(256)113(49-25-29-62-187)207-152(253)115(51-32-64-200-182(193)194)210-159(260)123(74-103-43-31-42-102-41-19-20-44-107(102)103)219-158(259)121(72-100-39-17-14-18-40-100)206-141(243)84-204-151(252)119(69-93(2)3)215-171(272)131(226-150(251)109(189)77-142(244)245)86-283-285-88-133(230-173(134)274)170(271)213-117(53-34-66-202-184(197)198)180(281)236-67-35-54-137(236)175(276)222-127(79-140(191)242)163(264)216-120(70-94(4)5)166(267)232-146(96(8)9)178(279)231-135/h13-22,31,37-46,56-59,82-83,92-98,109,111-138,145-148,203,238-240H,12,23-30,32-36,47-55,60-81,84-91,185-189H2,1-11H3,(H2,190,241)(H2,191,242)(H2,192,250)(H,199,205)(H,204,252)(H,206,243)(H,207,253)(H,208,262)(H,209,265)(H,210,260)(H,211,269)(H,212,270)(H,213,271)(H,214,278)(H,215,272)(H,216,264)(H,217,254)(H,218,255)(H,219,259)(H,220,266)(H,221,263)(H,222,276)(H,223,277)(H,224,280)(H,225,273)(H,226,251)(H,227,257)(H,228,256)(H,229,261)(H,230,274)(H,231,279)(H,232,267)(H,233,268)(H,234,275)(H,235,258)(H,244,245)(H,246,247)(H,248,249)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t97-,98+,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,145-,146-,147-,148-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50077787
PNG
(CHEMBL3416937)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C184H273N53O45S6/c1-12-97(10)147-181(282)237-68-36-55-138(237)176(277)223-129(81-144(248)249)165(266)220-126(78-139(190)241)162(263)221-128(80-143(246)247)164(265)209-114(50-26-30-63-188)156(257)227-134-89-286-284-87-132(169(270)212-112(48-24-28-61-186)153(254)217-122(73-101-56-58-106(240)59-57-101)167(268)233-145(95(6)7)177(278)214-118(149(192)250)71-99-37-15-13-16-38-99)229-160(261)124(75-104-82-203-110-46-22-21-45-108(104)110)218-154(255)111(47-23-27-60-185)208-161(262)125(76-105-83-199-92-205-105)224-179(280)148(98(11)239)235-157(258)116(52-33-65-201-183(195)196)211-168(269)130(85-238)225-172(273)135-90-287-288-91-136(174(275)234-147)228-155(256)113(49-25-29-62-187)207-152(253)115(51-32-64-200-182(193)194)210-159(260)123(74-103-43-31-42-102-41-19-20-44-107(102)103)219-158(259)121(72-100-39-17-14-18-40-100)206-141(243)84-204-151(252)119(69-93(2)3)215-171(272)131(226-150(251)109(189)77-142(244)245)86-283-285-88-133(230-173(134)274)170(271)213-117(53-34-66-202-184(197)198)180(281)236-67-35-54-137(236)175(276)222-127(79-140(191)242)163(264)216-120(70-94(4)5)166(267)232-146(96(8)9)178(279)231-135/h13-22,31,37-46,56-59,82-83,92-98,109,111-138,145-148,203,238-240H,12,23-30,32-36,47-55,60-81,84-91,185-189H2,1-11H3,(H2,190,241)(H2,191,242)(H2,192,250)(H,199,205)(H,204,252)(H,206,243)(H,207,253)(H,208,262)(H,209,265)(H,210,260)(H,211,269)(H,212,270)(H,213,271)(H,214,278)(H,215,272)(H,216,264)(H,217,254)(H,218,255)(H,219,259)(H,220,266)(H,221,263)(H,222,276)(H,223,277)(H,224,280)(H,225,273)(H,226,251)(H,227,257)(H,228,256)(H,229,261)(H,230,274)(H,231,279)(H,232,267)(H,233,268)(H,234,275)(H,235,258)(H,244,245)(H,246,247)(H,248,249)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t97-,98+,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,145-,146-,147-,148-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells by whole cell patch clamp electrophysiology method


J Med Chem 59: 2704-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450605
PNG
(CHEMBL4174592)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
Show InChI InChI=1S/C165H250N48O40S6/c1-9-12-39-102-142(233)202-118(72-93-76-184-101-42-21-18-38-97(93)101)154(245)213-133(88(8)215)162(253)211-126-84-259-255-80-122-156(247)194-106(46-25-29-63-169)143(234)200-115(68-89-34-14-13-15-35-89)149(240)203-117(71-92-75-183-100-41-20-17-37-96(92)100)152(243)209-123(157(248)195-108(48-31-65-180-164(175)176)141(232)188-103(43-22-26-60-166)140(231)197-112(56-59-130(221)222)147(238)212-132(134(172)225)86(6)11-3)81-256-254-79-121(206-135(226)87(7)186-138(229)107(47-30-64-179-163(173)174)190-139(230)104(44-23-27-61-167)193-155(246)120(78-214)205-153(244)119(73-131(223)224)204-160(126)251)161(252)210-125(158(249)196-110(55-58-129(219)220)137(228)185-77-128(218)187-113(67-85(4)5)148(239)192-109(145(236)207-122)49-32-66-181-165(177)178)83-258-257-82-124(208-150(241)114(199-136(227)98(170)33-10-2)69-90-50-52-94(216)53-51-90)159(250)198-111(54-57-127(171)217)146(237)189-105(45-24-28-62-168)144(235)201-116(151(242)191-102)70-91-74-182-99-40-19-16-36-95(91)99/h2,16-21,36-38,40-42,50-53,74-76,85-89,98,102-126,132-133,182-184,214-216H,9,11-15,22-35,39,43-49,54-73,77-84,166-170H2,1,3-8H3,(H2,171,217)(H2,172,225)(H,185,228)(H,186,229)(H,187,218)(H,188,232)(H,189,237)(H,190,230)(H,191,242)(H,192,239)(H,193,246)(H,194,247)(H,195,248)(H,196,249)(H,197,231)(H,198,250)(H,199,227)(H,200,234)(H,201,235)(H,202,233)(H,203,240)(H,204,251)(H,205,244)(H,206,226)(H,207,236)(H,208,241)(H,209,243)(H,210,252)(H,211,253)(H,212,238)(H,213,245)(H,219,220)(H,221,222)(H,223,224)(H4,173,174,179)(H4,175,176,180)(H4,177,178,181)/t86-,87-,88+,98-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,132-,133-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 117n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50595864
PNG
(CHEMBL5208387)
Show SMILES [H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3cccc4c3OCC4(C)C)C1(O)O)C(=N)N[C@H]2CO |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00378
BindingDB Entry DOI: 10.7270/Q2SF3151
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50505258
PNG
(CHEMBL4588728)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2)NC(=O)[C@@H](N)CC(O)=O |r|
Show InChI InChI=1S/C183H265N49O54S8/c1-93(2)69-120-151(255)198-85-139(238)203-132-86-289-292-89-135-178(282)212-116(54-56-140(239)240)160(264)205-112(42-22-27-63-187)158(262)222-129(79-144(247)248)169(273)211-117(55-57-141(241)242)161(265)223-131(81-146(251)252)171(275)229-137(179(283)230-136(177(281)209-113(43-23-28-64-188)157(261)221-127(167(271)216-120)76-103-83-194-92-200-103)90-293-291-88-134(226-150(254)107(189)77-142(243)244)176(280)210-115(45-30-66-196-183(192)193)159(263)218-122(73-100-46-50-104(235)51-47-100)164(268)214-119(59-68-288-7)163(267)217-121(70-97-31-11-8-12-32-97)152(256)199-84-138(237)202-128(78-143(245)246)168(272)228-135)91-294-290-87-133(227-165(269)123(74-101-48-52-105(236)53-49-101)219-156(260)111(41-21-26-62-186)206-162(266)118(58-67-287-6)213-154(258)109(39-19-24-60-184)204-155(259)114(44-29-65-195-182(190)191)207-153(257)110(208-175(132)279)40-20-25-61-185)174(278)201-94(3)149(253)215-126(75-102-82-197-108-38-18-17-37-106(102)108)166(270)224-130(80-145(249)250)170(274)220-124(71-98-33-13-9-14-34-98)172(276)231-147(95(4)233)180(284)225-125(72-99-35-15-10-16-36-99)173(277)232-148(96(5)234)181(285)286/h8-18,31-38,46-53,82-83,92-96,107,109-137,147-148,197,233-236H,19-30,39-45,54-81,84-91,184-189H2,1-7H3,(H,194,200)(H,198,255)(H,199,256)(H,201,278)(H,202,237)(H,203,238)(H,204,259)(H,205,264)(H,206,266)(H,207,257)(H,208,279)(H,209,281)(H,210,280)(H,211,273)(H,212,282)(H,213,258)(H,214,268)(H,215,253)(H,216,271)(H,217,267)(H,218,263)(H,219,260)(H,220,274)(H,221,261)(H,222,262)(H,223,265)(H,224,270)(H,225,284)(H,226,254)(H,227,269)(H,228,272)(H,229,275)(H,230,283)(H,231,276)(H,232,277)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,285,286)(H4,190,191,195)(H4,192,193,196)/t94-,95+,96+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,147-,148-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells by electrophysiology assay


J Med Chem 62: 8695-8710 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01906
BindingDB Entry DOI: 10.7270/Q2M90CZD
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50077802
PNG
(CHEMBL3416934)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C180H271N53O45S6/c1-12-95(10)143-177(278)233-66-36-53-134(233)172(273)219-125(79-140(244)245)161(262)216-122(76-135(186)237)158(259)217-124(78-139(242)243)160(261)205-110(48-27-31-61-184)152(253)223-130-87-282-280-85-128(165(266)208-108(46-25-29-59-182)149(250)213-119(72-100-54-56-103(236)57-55-100)163(264)229-141(93(6)7)173(274)210-114(145(188)246)69-97-37-16-13-17-38-97)225-156(257)120(73-101-80-199-106-44-23-22-43-104(101)106)215-150(251)107(45-24-28-58-181)204-157(258)121(74-102-81-195-90-201-102)220-175(276)144(96(11)235)231-153(254)112(50-33-63-197-179(191)192)207-164(265)126(83-234)221-168(269)131-88-283-284-89-132(170(271)230-143)224-151(252)109(47-26-30-60-183)203-148(249)111(49-32-62-196-178(189)190)206-155(256)118(71-99-41-20-15-21-42-99)214-154(255)117(70-98-39-18-14-19-40-98)202-137(239)82-200-147(248)115(67-91(2)3)211-167(268)127(222-146(247)105(185)75-138(240)241)84-279-281-86-129(226-169(130)270)166(267)209-113(51-34-64-198-180(193)194)176(277)232-65-35-52-133(232)171(272)218-123(77-136(187)238)159(260)212-116(68-92(4)5)162(263)228-142(94(8)9)174(275)227-131/h13-23,37-44,54-57,80-81,90-96,105,107-134,141-144,199,234-236H,12,24-36,45-53,58-79,82-89,181-185H2,1-11H3,(H2,186,237)(H2,187,238)(H2,188,246)(H,195,201)(H,200,248)(H,202,239)(H,203,249)(H,204,258)(H,205,261)(H,206,256)(H,207,265)(H,208,266)(H,209,267)(H,210,274)(H,211,268)(H,212,260)(H,213,250)(H,214,255)(H,215,251)(H,216,262)(H,217,259)(H,218,272)(H,219,273)(H,220,276)(H,221,269)(H,222,247)(H,223,253)(H,224,252)(H,225,257)(H,226,270)(H,227,275)(H,228,263)(H,229,264)(H,230,271)(H,231,254)(H,240,241)(H,242,243)(H,244,245)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t95-,96+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,141-,142-,143-,144-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450593
PNG
(CHEMBL4164272)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
Show InChI InChI=1S/C162H246N48O40S6/c1-11-14-36-99-139(230)199-115(69-90-73-181-98-39-20-17-35-94(90)98)151(242)210-130(86(10)212)159(250)208-123-81-256-252-77-119-153(244)191-103(43-24-28-60-166)140(231)197-111(65-83(6)7)146(237)200-114(68-89-72-180-97-38-19-16-34-93(89)97)149(240)206-120(154(245)192-105(45-30-62-177-161(172)173)138(229)185-100(40-21-25-57-163)137(228)194-109(53-56-127(218)219)144(235)209-129(131(169)222)84(8)13-3)78-253-251-76-118(203-132(223)85(9)183-135(226)104(44-29-61-176-160(170)171)187-136(227)101(41-22-26-58-164)190-152(243)117(75-211)202-150(241)116(70-128(220)221)201-157(123)248)158(249)207-122(155(246)193-107(52-55-126(216)217)134(225)182-74-125(215)184-110(64-82(4)5)145(236)189-106(142(233)204-119)46-31-63-178-162(174)175)80-255-254-79-121(205-147(238)112(196-133(224)95(167)32-12-2)66-87-47-49-91(213)50-48-87)156(247)195-108(51-54-124(168)214)143(234)186-102(42-23-27-59-165)141(232)198-113(148(239)188-99)67-88-71-179-96-37-18-15-33-92(88)96/h2,15-20,33-35,37-39,47-50,71-73,82-86,95,99-123,129-130,179-181,211-213H,11,13-14,21-32,36,40-46,51-70,74-81,163-167H2,1,3-10H3,(H2,168,214)(H2,169,222)(H,182,225)(H,183,226)(H,184,215)(H,185,229)(H,186,234)(H,187,227)(H,188,239)(H,189,236)(H,190,243)(H,191,244)(H,192,245)(H,193,246)(H,194,228)(H,195,247)(H,196,224)(H,197,231)(H,198,232)(H,199,230)(H,200,237)(H,201,248)(H,202,241)(H,203,223)(H,204,233)(H,205,238)(H,206,240)(H,207,249)(H,208,250)(H,209,235)(H,210,242)(H,216,217)(H,218,219)(H,220,221)(H4,170,171,176)(H4,172,173,177)(H4,174,175,178)/t84-,85-,86+,95-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,129-,130-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 145n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50164278
PNG
(CHEMBL3799550)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C180H280N56O45S7/c1-13-94(10)141-176(281)236-66-35-51-133(236)171(276)222-124(79-138(246)247)160(265)219-121(76-134(186)240)157(262)220-123(78-137(244)245)159(264)207-108(45-25-29-60-184)150(255)226-129-86-286-284-84-127(164(269)210-106(43-23-27-58-182)146(251)217-118(72-98-52-54-101(239)55-53-98)162(267)232-139(92(6)7)172(277)213-114(143(188)248)70-96-36-16-14-17-37-96)228-155(260)119(73-99-80-202-104-41-21-20-40-102(99)104)218-147(252)105(42-22-26-57-181)206-156(261)120(74-100-81-197-89-203-100)223-174(279)142(95(11)238)234-152(257)111(48-32-63-200-179(193)194)209-163(268)125(82-237)224-167(272)130-87-287-288-88-131(169(274)233-141)227-149(254)107(44-24-28-59-183)204-145(250)109(46-30-61-198-177(189)190)205-151(256)112(56-67-282-12)211-154(259)117(71-97-38-18-15-19-39-97)216-148(253)110(47-31-62-199-178(191)192)208-153(258)115(68-90(2)3)215-166(271)126(225-144(249)103(185)75-136(242)243)83-283-285-85-128(229-168(129)273)165(270)212-113(49-33-64-201-180(195)196)175(280)235-65-34-50-132(235)170(275)221-122(77-135(187)241)158(263)214-116(69-91(4)5)161(266)231-140(93(8)9)173(278)230-130/h14-21,36-41,52-55,80-81,89-95,103,105-133,139-142,202,237-239H,13,22-35,42-51,56-79,82-88,181-185H2,1-12H3,(H2,186,240)(H2,187,241)(H2,188,248)(H,197,203)(H,204,250)(H,205,256)(H,206,261)(H,207,264)(H,208,258)(H,209,268)(H,210,269)(H,211,259)(H,212,270)(H,213,277)(H,214,263)(H,215,271)(H,216,253)(H,217,251)(H,218,252)(H,219,265)(H,220,262)(H,221,275)(H,222,276)(H,223,279)(H,224,272)(H,225,249)(H,226,255)(H,227,254)(H,228,260)(H,229,273)(H,230,278)(H,231,266)(H,232,267)(H,233,274)(H,234,257)(H,242,243)(H,244,245)(H,246,247)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)/t94-,95+,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,139-,140-,141-,142-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells by whole cell patch clamp electrophysiology method


J Med Chem 59: 2704-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450604
PNG
(CHEMBL4163942)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
Show InChI InChI=1S/C165H244N48O40S6/c1-9-11-38-102-142(233)203-119(72-93-76-184-101-41-20-17-37-97(93)101)154(245)213-133(88(8)215)162(253)212-127-84-259-255-80-123-156(247)194-106(45-24-28-62-169)143(234)201-115(67-86(5)6)149(240)204-118(71-92-75-183-100-40-19-16-36-96(92)100)152(243)210-124(157(248)195-108(47-30-64-180-164(175)176)141(232)188-103(42-21-25-59-166)140(231)197-112(55-58-131(221)222)147(238)199-113(134(172)225)68-89-33-13-12-14-34-89)81-256-254-79-122(207-135(226)87(7)186-138(229)107(46-29-63-179-163(173)174)190-139(230)104(43-22-26-60-167)193-155(246)121(78-214)206-153(244)120(73-132(223)224)205-160(127)251)161(252)211-126(158(249)196-110(54-57-130(219)220)137(228)185-77-129(218)187-114(66-85(3)4)148(239)192-109(145(236)208-123)48-31-65-181-165(177)178)83-258-257-82-125(209-150(241)116(200-136(227)98(170)32-10-2)69-90-49-51-94(216)52-50-90)159(250)198-111(53-56-128(171)217)146(237)189-105(44-23-27-61-168)144(235)202-117(151(242)191-102)70-91-74-182-99-39-18-15-35-95(91)99/h2,12-20,33-37,39-41,49-52,74-76,85-88,98,102-127,133,182-184,214-216H,9,11,21-32,38,42-48,53-73,77-84,166-170H2,1,3-8H3,(H2,171,217)(H2,172,225)(H,185,228)(H,186,229)(H,187,218)(H,188,232)(H,189,237)(H,190,230)(H,191,242)(H,192,239)(H,193,246)(H,194,247)(H,195,248)(H,196,249)(H,197,231)(H,198,250)(H,199,238)(H,200,227)(H,201,234)(H,202,235)(H,203,233)(H,204,240)(H,205,251)(H,206,244)(H,207,226)(H,208,236)(H,209,241)(H,210,243)(H,211,252)(H,212,253)(H,213,245)(H,219,220)(H,221,222)(H,223,224)(H4,173,174,179)(H4,175,176,180)(H4,177,178,181)/t87-,88+,98-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,133-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 162n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50164186
PNG
(CHEMBL3798843)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C180H273N53O45S7/c1-13-94(10)143-177(278)233-65-34-51-134(233)172(273)219-125(78-140(244)245)161(262)216-122(75-135(186)237)158(259)217-124(77-139(242)243)160(261)206-110(46-24-28-60-184)152(253)223-130-86-283-281-84-128(165(266)208-108(44-22-26-58-182)149(250)214-119(70-97-52-54-102(236)55-53-97)163(264)229-141(92(6)7)173(274)211-115(145(188)246)71-99-39-29-38-98-37-17-18-40-103(98)99)225-156(257)120(72-100-79-199-106-42-20-19-41-104(100)106)215-150(251)107(43-21-25-57-181)205-157(258)121(73-101-80-195-89-201-101)220-175(276)144(95(11)235)231-154(255)112(48-31-62-197-179(191)192)207-164(265)126(82-234)221-168(269)131-87-284-285-88-132(170(271)230-143)224-151(252)109(45-23-27-59-183)203-148(249)111(47-30-61-196-178(189)190)204-153(254)113(56-66-279-12)209-155(256)118(69-96-35-15-14-16-36-96)202-137(239)81-200-147(248)116(67-90(2)3)212-167(268)127(222-146(247)105(185)74-138(240)241)83-280-282-85-129(226-169(130)270)166(267)210-114(49-32-63-198-180(193)194)176(277)232-64-33-50-133(232)171(272)218-123(76-136(187)238)159(260)213-117(68-91(4)5)162(263)228-142(93(8)9)174(275)227-131/h14-20,29,35-42,52-55,79-80,89-95,105,107-134,141-144,199,234-236H,13,21-28,30-34,43-51,56-78,81-88,181-185H2,1-12H3,(H2,186,237)(H2,187,238)(H2,188,246)(H,195,201)(H,200,248)(H,202,239)(H,203,249)(H,204,254)(H,205,258)(H,206,261)(H,207,265)(H,208,266)(H,209,256)(H,210,267)(H,211,274)(H,212,268)(H,213,260)(H,214,250)(H,215,251)(H,216,262)(H,217,259)(H,218,272)(H,219,273)(H,220,276)(H,221,269)(H,222,247)(H,223,253)(H,224,252)(H,225,257)(H,226,270)(H,227,275)(H,228,263)(H,229,264)(H,230,271)(H,231,255)(H,240,241)(H,242,243)(H,244,245)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t94-,95+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,141-,142-,143-,144-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells by whole cell patch clamp electrophysiology method


J Med Chem 59: 2704-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450606
PNG
(CHEMBL4175995)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
Show InChI InChI=1S/C164H248N48O40S6/c1-9-12-39-101-141(232)200-116(71-92-75-183-100-42-21-18-38-96(92)100)152(243)211-131(87(8)214)160(251)209-124-83-258-254-79-120-154(245)193-105(46-25-29-63-168)145(236)212-132(89-34-14-13-15-35-89)161(252)202-115(70-91-74-182-99-41-20-17-37-95(91)99)150(241)207-121(155(246)194-107(48-31-65-179-163(174)175)140(231)187-102(43-22-26-60-165)139(230)196-111(56-59-128(220)221)146(237)210-130(133(171)224)85(6)11-3)80-255-253-78-119(204-134(225)86(7)185-137(228)106(47-30-64-178-162(172)173)189-138(229)103(44-23-27-61-166)192-153(244)118(77-213)203-151(242)117(72-129(222)223)201-158(124)249)159(250)208-123(156(247)195-109(55-58-127(218)219)136(227)184-76-126(217)186-112(67-84(4)5)147(238)191-108(143(234)205-120)49-32-66-180-164(176)177)82-257-256-81-122(206-148(239)113(198-135(226)97(169)33-10-2)68-88-50-52-93(215)53-51-88)157(248)197-110(54-57-125(170)216)144(235)188-104(45-24-28-62-167)142(233)199-114(149(240)190-101)69-90-73-181-98-40-19-16-36-94(90)98/h2,16-21,36-38,40-42,50-53,73-75,84-87,89,97,101-124,130-132,181-183,213-215H,9,11-15,22-35,39,43-49,54-72,76-83,165-169H2,1,3-8H3,(H2,170,216)(H2,171,224)(H,184,227)(H,185,228)(H,186,217)(H,187,231)(H,188,235)(H,189,229)(H,190,240)(H,191,238)(H,192,244)(H,193,245)(H,194,246)(H,195,247)(H,196,230)(H,197,248)(H,198,226)(H,199,233)(H,200,232)(H,201,249)(H,202,252)(H,203,242)(H,204,225)(H,205,234)(H,206,239)(H,207,241)(H,208,250)(H,209,251)(H,210,237)(H,211,243)(H,212,236)(H,218,219)(H,220,221)(H,222,223)(H4,172,173,178)(H4,174,175,179)(H4,176,177,180)/t85-,86-,87+,97-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,130-,131-,132-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 177n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450591
PNG
(CHEMBL4167083)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r|
Show InChI InChI=1S/C160H245BrN48O43S6/c1-10-13-32-95-137(232)198-111(64-84-69-179-92-34-17-15-31-88(84)92)149(244)209-128(82(9)211)157(252)207-119-78-258-254-73-114-151(246)190-99(38-21-25-57-165)138(233)196-108(62-80(6)7)145(240)199-110(65-85-70-180-93-44-42-86(161)66-89(85)93)147(242)205-116(152(247)191-101(40-27-59-176-159(171)172)135(230)184-96(35-18-22-54-162)134(229)194-106(48-53-125(220)221)143(238)208-127(129(168)224)81(8)12-3)75-255-257-77-118(204-142(237)105(47-52-124(218)219)193-136(231)100(39-26-58-175-158(169)170)186-133(228)97(36-19-23-55-163)189-150(245)113(72-210)201-148(243)112(67-126(222)223)200-155(119)250)156(251)206-117(153(248)192-103(46-51-123(216)217)131(226)181-71-121(213)182-107(61-79(4)5)144(239)188-102(140(235)203-114)41-28-60-177-160(173)174)76-256-253-74-115(202-132(227)94(29-11-2)183-130(225)90(166)43-50-122(214)215)154(249)195-104(45-49-120(167)212)141(236)185-98(37-20-24-56-164)139(234)197-109(146(241)187-95)63-83-68-178-91-33-16-14-30-87(83)91/h2,14-17,30-31,33-34,42,44,66,68-70,79-82,90,94-119,127-128,178-180,210-211H,10,12-13,18-29,32,35-41,43,45-65,67,71-78,162-166H2,1,3-9H3,(H2,167,212)(H2,168,224)(H,181,226)(H,182,213)(H,183,225)(H,184,230)(H,185,236)(H,186,228)(H,187,241)(H,188,239)(H,189,245)(H,190,246)(H,191,247)(H,192,248)(H,193,231)(H,194,229)(H,195,249)(H,196,233)(H,197,234)(H,198,232)(H,199,240)(H,200,250)(H,201,243)(H,202,227)(H,203,235)(H,204,237)(H,205,242)(H,206,251)(H,207,252)(H,208,238)(H,209,244)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H4,169,170,175)(H4,171,172,176)(H4,173,174,177)/t81-,82+,90-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,127-,128-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 182n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50450608
PNG
(CHEMBL4175589)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r|
Show InChI InChI=1S/C162H246N48O40S6/c1-11-15-37-99-139(230)198-114(69-90-73-181-98-40-21-18-36-94(90)98)150(241)210-130(86(10)212)159(250)207-122-81-256-252-77-118-152(243)191-103(44-25-29-61-166)143(234)209-129(84(8)14-4)158(249)200-113(68-89-72-180-97-39-20-17-35-93(89)97)148(239)205-119(153(244)192-105(46-31-63-177-161(172)173)138(229)185-100(41-22-26-58-163)137(228)194-109(54-57-126(218)219)144(235)208-128(131(169)222)83(7)13-3)78-253-251-76-117(202-132(223)85(9)183-135(226)104(45-30-62-176-160(170)171)187-136(227)101(42-23-27-59-164)190-151(242)116(75-211)201-149(240)115(70-127(220)221)199-156(122)247)157(248)206-121(154(245)193-107(53-56-125(216)217)134(225)182-74-124(215)184-110(65-82(5)6)145(236)189-106(141(232)203-118)47-32-64-178-162(174)175)80-255-254-79-120(204-146(237)111(196-133(224)95(167)33-12-2)66-87-48-50-91(213)51-49-87)155(246)195-108(52-55-123(168)214)142(233)186-102(43-24-28-60-165)140(231)197-112(147(238)188-99)67-88-71-179-96-38-19-16-34-92(88)96/h2,16-21,34-36,38-40,48-51,71-73,82-86,95,99-122,128-130,179-181,211-213H,11,13-15,22-33,37,41-47,52-70,74-81,163-167H2,1,3-10H3,(H2,168,214)(H2,169,222)(H,182,225)(H,183,226)(H,184,215)(H,185,229)(H,186,233)(H,187,227)(H,188,238)(H,189,236)(H,190,242)(H,191,243)(H,192,244)(H,193,245)(H,194,228)(H,195,246)(H,196,224)(H,197,231)(H,198,230)(H,199,247)(H,200,249)(H,201,240)(H,202,223)(H,203,232)(H,204,237)(H,205,239)(H,206,248)(H,207,250)(H,208,235)(H,209,234)(H,210,241)(H,216,217)(H,218,219)(H,220,221)(H4,170,171,176)(H4,172,173,177)(H4,174,175,178)/t83-,84-,85-,86+,95-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,128-,129-,130-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 193n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50164184
PNG
(CHEMBL3798824)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C180H273N53O44S7/c1-13-95(10)143-177(277)233-66-37-56-134(233)172(272)219-125(79-140(243)244)161(261)216-122(76-135(186)236)158(258)217-124(78-139(241)242)160(260)206-110(51-27-31-61-184)152(252)223-130-87-282-280-85-128(165(265)208-108(49-25-29-59-182)150(250)214-119(72-100-44-32-43-99-42-20-21-45-103(99)100)163(263)229-141(93(6)7)173(273)211-115(145(188)245)70-97-38-16-14-17-39-97)225-156(256)120(73-101-80-199-106-47-23-22-46-104(101)106)215-149(249)107(48-24-28-58-181)205-157(257)121(74-102-81-195-90-201-102)220-175(275)144(96(11)235)231-154(254)112(53-34-63-197-179(191)192)207-164(264)126(83-234)221-168(268)131-88-283-284-89-132(170(270)230-143)224-151(251)109(50-26-30-60-183)203-148(248)111(52-33-62-196-178(189)190)204-153(253)113(57-67-278-12)209-155(255)118(71-98-40-18-15-19-41-98)202-137(238)82-200-147(247)116(68-91(2)3)212-167(267)127(222-146(246)105(185)75-138(239)240)84-279-281-86-129(226-169(130)269)166(266)210-114(54-35-64-198-180(193)194)176(276)232-65-36-55-133(232)171(271)218-123(77-136(187)237)159(259)213-117(69-92(4)5)162(262)228-142(94(8)9)174(274)227-131/h14-23,32,38-47,80-81,90-96,105,107-134,141-144,199,234-235H,13,24-31,33-37,48-79,82-89,181-185H2,1-12H3,(H2,186,236)(H2,187,237)(H2,188,245)(H,195,201)(H,200,247)(H,202,238)(H,203,248)(H,204,253)(H,205,257)(H,206,260)(H,207,264)(H,208,265)(H,209,255)(H,210,266)(H,211,273)(H,212,267)(H,213,259)(H,214,250)(H,215,249)(H,216,261)(H,217,258)(H,218,271)(H,219,272)(H,220,275)(H,221,268)(H,222,246)(H,223,252)(H,224,251)(H,225,256)(H,226,269)(H,227,274)(H,228,262)(H,229,263)(H,230,270)(H,231,254)(H,239,240)(H,241,242)(H,243,244)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t95-,96+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,141-,142-,143-,144-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method


J Med Chem 59: 2704-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50077471
PNG
(CHEMBL3416886)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
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