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Compile Data Set for Download or QSAR

Found 340 hits Enz. Inhib. hit(s) with Target = 'Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50141067
PNG
(3-[4-(2,4-Difluoro-phenoxy)-phenyl]-pyrazole-1-car...)
Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C16H11F2N3O2/c17-11-3-6-15(13(18)9-11)23-12-4-1-10(2-5-12)14-7-8-21(20-14)16(19)22/h1-9H,(H2,19,22)
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25n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50141062
PNG
(3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxy...)
Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H12FN3O2/c17-12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)15-9-10-20(19-15)16(18)21/h1-10H,(H2,18,21)
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31n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50141070
PNG
(3-[4-(4-Nitro-phenoxy)-phenyl]-pyrazole-1-carboxyl...)
Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H12N4O4/c17-16(21)19-10-9-15(18-19)11-1-5-13(6-2-11)24-14-7-3-12(4-8-14)20(22)23/h1-10H,(H2,17,21)
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31n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50141072
PNG
(3-(4-Phenoxy-phenyl)-pyrazole-1-carboxylic acid am...)
Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H13N3O2/c17-16(20)19-11-10-15(18-19)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H2,17,20)
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35n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50141065
PNG
(3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxy...)
Show SMILES CNC(=O)n1ccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H14FN3O2/c1-19-17(22)21-11-10-16(20-21)12-2-6-14(7-3-12)23-15-8-4-13(18)5-9-15/h2-11H,1H3,(H,19,22)
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150n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50141073
PNG
((E)-2-(4-(4-fluorophenoxy)benzylidene)hydrazinecar...)
Show SMILES NC(=O)NN=Cc1ccc(Oc2ccc(F)cc2)cc1 |w:5.5|
Show InChI InChI=1S/C14H12FN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)
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180n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50141066
PNG
(3-[4-(4-Fluoro-phenoxy)-phenyl]-1H-pyrazole | CHEM...)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cc[nH]n2)cc1
Show InChI InChI=1S/C15H11FN2O/c16-12-3-7-14(8-4-12)19-13-5-1-11(2-6-13)15-9-10-17-18-15/h1-10H,(H,17,18)
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200n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50141064
PNG
(3-(4-Phenoxy-phenyl)-1H-pyrazole | CHEMBL41864)
Show SMILES O(c1ccccc1)c1ccc(cc1)-c1cc[nH]n1
Show InChI InChI=1S/C15H12N2O/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)15-10-11-16-17-15/h1-11H,(H,16,17)
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240n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50141071
PNG
(3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxy...)
Show SMILES CN(C)C(=O)n1ccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H16FN3O2/c1-21(2)18(23)22-12-11-17(20-22)13-3-7-15(8-4-13)24-16-9-5-14(19)6-10-16/h3-12H,1-2H3
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340n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50141069
PNG
(3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazo...)
Show SMILES Cn1ccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H13FN2O/c1-19-11-10-16(18-19)12-2-6-14(7-3-12)20-15-8-4-13(17)5-9-15/h2-11H,1H3
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690n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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1.70E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50003655
PNG
(PHENYTOIN | Phenytoin)
Show SMILES O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
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2.40E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50003659
PNG
(5H-dibenzo[b,f]azepine-5-carboxamide | CARBAMAZEPI...)
Show SMILES NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
Show InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
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5.20E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50078831
PNG
(3-Phenyl-1H-pyrazole | CHEMBL38876)
Show SMILES c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)
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6.10E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50141063
PNG
(3-(4-Methoxy-phenyl)-1H-pyrazole | CHEMBL39210)
Show SMILES COc1ccc(cc1)-c1cc[nH]n1
Show InChI InChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
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8.10E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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|
Show InChI InChI=1/C71H106N26O23S6/c1-32(73)79-14-6-11-39-57(106)89-44(19-54(102)103)62(111)87-42(17-34-21-78-31-82-34)60(109)90-45(22-98)63(112)84-40(12-7-15-80-71(76)77)58(107)94-51-29-124-123-28-50-68(117)92-47(24-100)65(114)91-46(23-99)64(113)83-38(10-4-5-13-72)56(105)86-41(16-33-20-81-37-9-3-2-8-35(33)37)59(108)95-49(66(115)85-39)27-122-121-25-36(74)55(104)93-48(26-125-126-30-52(70(119)120)97-69(51)118)67(116)88-43(18-53(75)101)61(110)96-50/h2-3,8-9,20-21,31,36,38-52,79,81,98-100H,1,4-7,10-19,22-30,72-74H2,(H2,75,101)(H,78,82)(H,83,113)(H,84,112)(H,85,115)(H,86,105)(H,87,111)(H,88,116)(H,89,106)(H,90,109)(H,91,114)(H,92,117)(H,93,104)(H,94,107)(H,95,108)(H,96,110)(H,97,118)(H,102,103)(H,119,120)(H4,76,77,80)/t36-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/s2
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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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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|
Show InChI InChI=1/C168H250N46O41S8/c1-86(2)66-117-151(239)203-120(70-92-75-183-102-35-15-11-31-97(92)102)154(242)209-126(159(247)193-106(39-19-24-58-170)141(229)188-105(38-18-23-57-169)140(228)189-107(40-20-25-59-171)143(231)200-118(67-87(3)4)152(240)205-123(166(254)255)72-94-77-185-104-37-17-13-33-99(94)104)81-259-261-83-128-163(251)210-127-82-260-258-80-125(207-138(226)100(174)68-90-45-47-95(217)48-46-90)158(246)197-113(49-52-131(175)218)147(235)191-108(41-21-26-60-172)144(232)201-119(69-91-74-182-101-34-14-10-30-96(91)101)153(241)198-116(56-65-257-9)149(237)202-121(71-93-76-184-103-36-16-12-32-98(93)103)156(244)214-137(89(7)216)165(253)212-130(162(250)204-122(73-135(224)225)155(243)206-124(79-215)157(245)196-114(51-54-134(222)223)148(236)192-110(43-28-62-180-167(176)177)142(230)190-109(146(234)208-128)42-22-27-61-173)85-263-262-84-129(161(249)194-111(145(233)199-117)44-29-63-181-168(178)179)211-164(252)136(88(5)6)213-150(238)115(55-64-256-8)187-132(219)78-186-139(227)112(195-160(127)248)50-53-133(220)221/h10-17,30-37,45-48,74-77,86-89,100,105-130,136-137,182-185,215-217H,18-29,38-44,49-73,78-85,169-174H2,1-9H3,(H2,175,218)(H,186,227)(H,187,219)(H,188,229)(H,189,228)(H,190,230)(H,191,235)(H,192,236)(H,193,247)(H,194,249)(H,195,248)(H,196,245)(H,197,246)(H,198,241)(H,199,233)(H,200,231)(H,201,232)(H,202,237)(H,203,239)(H,204,250)(H,205,240)(H,206,243)(H,207,226)(H,208,234)(H,209,242)(H,210,251)(H,211,252)(H,212,253)(H,213,238)(H,214,244)(H,220,221)(H,222,223)(H,224,225)(H,254,255)(H4,176,177,180)(H4,178,179,181)/t89-,100+,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+,136+,137+/s2
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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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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
PDB

UniProtKB/SwissProt

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Article
PubMed
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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
KEGG
PC cid
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UniChem
PubMed
n/an/a 62n/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)


BindingDB Entry DOI: 10.7270/Q2XS5X6P
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
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UniChem
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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

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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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
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UniChem
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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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50164364
PNG
(CHEMBL3797461)
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](Cc3cc4ccccc4[nH]3)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=1/C182H272N54O45S6/c1-12-95(10)145-179(281)236-65-35-52-136(236)174(276)222-127(79-142(247)248)163(265)219-124(76-137(188)240)160(262)220-126(78-141(245)246)162(264)208-112(47-26-30-60-186)154(256)226-132-87-285-283-85-130(167(269)211-110(45-24-28-58-184)151(253)216-120(70-99-53-55-104(239)56-54-99)165(267)232-143(93(6)7)175(277)213-116(147(190)249)68-97-36-15-13-16-37-97)228-157(259)121(72-101-80-201-108-43-22-20-41-105(101)108)217-152(254)109(44-23-27-57-183)207-159(261)123(74-103-81-197-90-203-103)223-177(279)146(96(11)238)234-155(257)114(49-32-62-199-181(193)194)210-166(268)128(83-237)224-170(272)133-88-286-287-89-134(172(274)233-145)227-153(255)111(46-25-29-59-185)206-150(252)113(48-31-61-198-180(191)192)209-158(260)122(73-102-71-100-40-19-21-42-107(100)204-102)218-156(258)119(69-98-38-17-14-18-39-98)205-139(242)82-202-149(251)117(66-91(2)3)214-169(271)129(225-148(250)106(187)75-140(243)244)84-282-284-86-131(229-171(132)273)168(270)212-115(50-33-63-200-182(195)196)178(280)235-64-34-51-135(235)173(275)221-125(77-138(189)241)161(263)215-118(67-92(4)5)164(266)231-144(94(8)9)176(278)230-133/h13-22,36-43,53-56,71,80-81,90-96,106,109-136,143-146,201,204,237-239H,12,23-35,44-52,57-70,72-79,82-89,183-187H2,1-11H3,(H2,188,240)(H2,189,241)(H2,190,249)(H,197,203)(H,202,251)(H,205,242)(H,206,252)(H,207,261)(H,208,264)(H,209,260)(H,210,268)(H,211,269)(H,212,270)(H,213,277)(H,214,271)(H,215,263)(H,216,253)(H,217,254)(H,218,258)(H,219,265)(H,220,262)(H,221,275)(H,222,276)(H,223,279)(H,224,272)(H,225,250)(H,226,256)(H,227,255)(H,228,259)(H,229,273)(H,230,278)(H,231,266)(H,232,267)(H,233,274)(H,234,257)(H,243,244)(H,245,246)(H,247,248)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/t95-,96+,106-,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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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|
Show InChI InChI=1/C176H271N53O45S7/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/h14-21,35-40,50-53,77-78,87-93,101,103-130,137-140,195,230-232H,13,22-34,41-49,54-76,79-86,177-181H2,1-12H3,(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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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 by whole cell patch clamp electrophysiology method


J Med Chem 59: 2704-17 (2016)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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|
Show InChI InChI=1/C176H271N53O45S7/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/h14-21,35-40,50-53,77-78,87-93,101,103-130,137-140,195,230-232H,13,22-34,41-49,54-76,79-86,177-181H2,1-12H3,(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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50163938
PNG
(CHEMBL3800494)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([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](Cc4ccccc4)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)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)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)NC2=O)C(C)C)[C@@H](C)CC |r|
Show InChI InChI=1/C177H276N54O45S7/c1-13-93(10)140-174(276)231-64-35-50-131(231)170(272)218-123(77-137(242)243)160(262)216-121(75-133(185)236)158(260)217-122(76-136(240)241)159(261)205-108(46-26-31-60-182)151(253)222-128-85-281-279-83-126(164(266)207-106(44-24-29-58-180)147(249)213-117(70-97-51-53-100(234)54-52-97)162(264)228-138(91(6)7)171(273)210-113(142(186)244)68-95-36-16-14-17-37-95)224-155(257)118(71-98-78-197-103-41-21-20-40-101(98)103)214-148(250)105(43-23-28-57-179)204-156(258)119(72-99-79-193-88-199-99)219-173(275)141(94(11)233)230-153(255)111(49-34-63-196-177(191)192)206-163(265)124(81-232)220-167(269)129-86-282-283-87-130(169(271)229-140)223-150(252)107(45-25-30-59-181)202-145(247)109(47-32-61-194-175(187)188)203-152(254)112(55-65-277-12)209-154(256)116(69-96-38-18-15-19-39-96)200-134(237)80-198-144(246)114(66-89(2)3)211-166(268)125(221-143(245)102(183)73-135(238)239)82-278-280-84-127(225-168(128)270)165(267)208-110(48-33-62-195-176(189)190)146(248)201-104(42-22-27-56-178)149(251)215-120(74-132(184)235)157(259)212-115(67-90(4)5)161(263)227-139(92(8)9)172(274)226-129/h14-21,36-41,51-54,78-79,88-94,102,104-131,138-141,197,232-234H,13,22-35,42-50,55-77,80-87,178-183H2,1-12H3,(H2,184,235)(H2,185,236)(H2,186,244)(H,193,199)(H,198,246)(H,200,237)(H,201,248)(H,202,247)(H,203,254)(H,204,258)(H,205,261)(H,206,265)(H,207,266)(H,208,267)(H,209,256)(H,210,273)(H,211,268)(H,212,259)(H,213,249)(H,214,250)(H,215,251)(H,216,262)(H,217,260)(H,218,272)(H,219,275)(H,220,269)(H,221,245)(H,222,253)(H,223,252)(H,224,257)(H,225,270)(H,226,274)(H,227,263)(H,228,264)(H,229,271)(H,230,255)(H,238,239)(H,240,241)(H,242,243)(H4,187,188,194)(H4,189,190,195)(H4,191,192,196)/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 210n/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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50163921
PNG
(CHEMBL3798549)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](N)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=1/C172H266N52O42S7/c1-13-91(10)136-169(266)224-63-34-49-128(224)164(261)211-120(75-133(233)234)154(251)208-117(72-129(178)228)151(248)209-119(74-132(231)232)153(250)198-105(44-25-29-58-176)145(242)214-124-83-271-270-82-122(158(255)200-103(42-23-27-56-174)142(239)206-114(69-95-50-52-98(227)53-51-95)156(253)220-134(89(6)7)165(262)203-110(138(180)235)67-93-35-16-14-17-36-93)216-149(246)115(70-96-76-191-101-40-21-20-39-99(96)101)207-143(240)102(41-22-26-55-173)197-150(247)116(71-97-77-187-86-193-97)212-167(264)137(92(11)226)222-147(244)107(46-31-60-189-171(183)184)199-157(254)121(79-225)213-160(257)125-84-272-273-85-126(162(259)221-136)215-144(241)104(43-24-28-57-175)195-141(238)106(45-30-59-188-170(181)182)196-146(243)108(54-64-267-12)201-148(245)113(68-94-37-18-15-19-38-94)194-131(230)78-192-140(237)111(65-87(2)3)204-139(236)100(177)80-268-269-81-123(217-161(124)258)159(256)202-109(47-32-61-190-172(185)186)168(265)223-62-33-48-127(223)163(260)210-118(73-130(179)229)152(249)205-112(66-88(4)5)155(252)219-135(90(8)9)166(263)218-125/h14-21,35-40,50-53,76-77,86-92,100,102-128,134-137,191,225-227H,13,22-34,41-49,54-75,78-85,173-177H2,1-12H3,(H2,178,228)(H2,179,229)(H2,180,235)(H,187,193)(H,192,237)(H,194,230)(H,195,238)(H,196,243)(H,197,247)(H,198,250)(H,199,254)(H,200,255)(H,201,245)(H,202,256)(H,203,262)(H,204,236)(H,205,249)(H,206,239)(H,207,240)(H,208,251)(H,209,248)(H,210,260)(H,211,261)(H,212,264)(H,213,257)(H,214,242)(H,215,241)(H,216,246)(H,217,258)(H,218,263)(H,219,252)(H,220,253)(H,221,259)(H,222,244)(H,231,232)(H,233,234)(H4,181,182,188)(H4,183,184,189)(H4,185,186,190)/t91-,92+,100-,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-,128-,134-,135-,136-,137-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 240n/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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50077800
PNG
(CHEMBL3416936)
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](Cc3c[nH]c4ccccc34)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=1/C182H272N54O45S6/c1-12-95(10)145-179(281)236-65-35-52-136(236)174(276)222-127(78-142(247)248)163(265)219-124(75-137(188)240)160(262)220-126(77-141(245)246)162(264)208-112(47-26-30-60-186)154(256)226-132-87-285-283-85-130(167(269)211-110(45-24-28-58-184)151(253)216-120(70-99-53-55-103(239)56-54-99)165(267)232-143(93(6)7)175(277)213-116(147(190)249)68-97-36-15-13-16-37-97)228-158(260)122(72-101-80-202-108-43-22-20-41-105(101)108)217-152(254)109(44-23-27-57-183)207-159(261)123(73-102-81-197-90-204-102)223-177(279)146(96(11)238)234-155(257)114(49-32-62-199-181(193)194)210-166(268)128(83-237)224-170(272)133-88-286-287-89-134(172(274)233-145)227-153(255)111(46-25-29-59-185)206-150(252)113(48-31-61-198-180(191)192)209-157(259)121(71-100-79-201-107-42-21-19-40-104(100)107)218-156(258)119(69-98-38-17-14-18-39-98)205-139(242)82-203-149(251)117(66-91(2)3)214-169(271)129(225-148(250)106(187)74-140(243)244)84-282-284-86-131(229-171(132)273)168(270)212-115(50-33-63-200-182(195)196)178(280)235-64-34-51-135(235)173(275)221-125(76-138(189)241)161(263)215-118(67-92(4)5)164(266)231-144(94(8)9)176(278)230-133/h13-22,36-43,53-56,79-81,90-96,106,109-136,143-146,201-202,237-239H,12,23-35,44-52,57-78,82-89,183-187H2,1-11H3,(H2,188,240)(H2,189,241)(H2,190,249)(H,197,204)(H,203,251)(H,205,242)(H,206,252)(H,207,261)(H,208,264)(H,209,259)(H,210,268)(H,211,269)(H,212,270)(H,213,277)(H,214,271)(H,215,263)(H,216,253)(H,217,254)(H,218,258)(H,219,265)(H,220,262)(H,221,275)(H,222,276)(H,223,279)(H,224,272)(H,225,250)(H,226,256)(H,227,255)(H,228,260)(H,229,273)(H,230,278)(H,231,266)(H,232,267)(H,233,274)(H,234,257)(H,243,244)(H,245,246)(H,247,248)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/t95-,96+,106-,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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50077777
PNG
(CHEMBL3416946)
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](Cc2cnc[nH]2)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=1/C178H271N55O44S7/c1-12-94(10)142-175(277)233-62-33-48-133(233)171(273)221-124(76-139(243)244)160(262)218-121(73-134(184)236)157(259)219-123(75-138(241)242)159(261)206-108(43-24-28-57-182)151(253)224-129-85-282-280-83-127(164(266)208-106(41-22-26-55-180)147(249)214-117(68-97-49-51-101(235)52-50-97)162(264)230-140(92(6)7)172(274)211-113(143(186)245)66-95-34-15-13-16-35-95)226-154(256)118(69-98-77-198-104-39-20-19-38-102(98)104)215-148(250)105(40-21-25-54-179)205-155(257)119(70-99-78-193-88-200-99)217-156(258)120(71-100-79-194-89-201-100)216-149(251)110(45-30-59-196-177(189)190)207-163(265)125(81-234)222-167(269)130-86-283-284-87-131(169(271)231-142)225-150(252)107(42-23-27-56-181)203-146(248)109(44-29-58-195-176(187)188)204-152(254)111(53-63-278-11)209-153(255)116(67-96-36-17-14-18-37-96)202-136(238)80-199-145(247)114(64-90(2)3)212-166(268)126(223-144(246)103(183)72-137(239)240)82-279-281-84-128(227-168(129)270)165(267)210-112(46-31-60-197-178(191)192)174(276)232-61-32-47-132(232)170(272)220-122(74-135(185)237)158(260)213-115(65-91(4)5)161(263)229-141(93(8)9)173(275)228-130/h13-20,34-39,49-52,77-79,88-94,103,105-133,140-142,198,234-235H,12,21-33,40-48,53-76,80-87,179-183H2,1-11H3,(H2,184,236)(H2,185,237)(H2,186,245)(H,193,200)(H,194,201)(H,199,247)(H,202,238)(H,203,248)(H,204,254)(H,205,257)(H,206,261)(H,207,265)(H,208,266)(H,209,255)(H,210,267)(H,211,274)(H,212,268)(H,213,260)(H,214,249)(H,215,250)(H,216,251)(H,217,258)(H,218,262)(H,219,259)(H,220,272)(H,221,273)(H,222,269)(H,223,246)(H,224,253)(H,225,252)(H,226,256)(H,227,270)(H,228,275)(H,229,263)(H,230,264)(H,231,271)(H,239,240)(H,241,242)(H,243,244)(H4,187,188,195)(H4,189,190,196)(H4,191,192,197)/t94-,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-,140-,141-,142-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50163886
PNG
(CHEMBL3800588)
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](Cc2c[nH]cn2)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](Cc2cccc4ccccc24)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=1/C185H276N52O44S7/c1-13-99(10)148-182(281)237-70-37-56-140(237)177(276)223-131(83-145(247)248)166(265)220-126(77-105-44-32-43-104-42-20-21-45-109(104)105)161(260)221-130(82-144(245)246)165(264)210-116(51-27-31-65-189)157(256)227-136-91-286-284-89-134(170(269)212-114(49-25-29-63-187)154(253)218-125(76-103-57-59-108(240)60-58-103)168(267)233-146(97(6)7)178(277)215-121(150(192)249)74-101-38-16-14-17-39-101)229-162(261)127(78-106-84-203-112-47-23-22-46-110(106)112)219-155(254)113(48-24-28-62-186)209-163(262)128(79-107-85-199-94-205-107)224-180(279)149(100(11)239)235-159(258)118(53-34-67-201-184(195)196)211-169(268)132(87-238)225-173(272)137-92-287-288-93-138(175(274)234-148)228-156(255)115(50-26-30-64-188)207-153(252)117(52-33-66-200-183(193)194)208-158(257)119(61-71-282-12)213-160(259)124(75-102-40-18-15-19-41-102)206-142(242)86-204-152(251)122(72-95(2)3)216-172(271)133(226-151(250)111(190)80-143(243)244)88-283-285-90-135(230-174(136)273)171(270)214-120(54-35-68-202-185(197)198)181(280)236-69-36-55-139(236)176(275)222-129(81-141(191)241)164(263)217-123(73-96(4)5)167(266)232-147(98(8)9)179(278)231-137/h14-23,32,38-47,57-60,84-85,94-100,111,113-140,146-149,203,238-240H,13,24-31,33-37,48-56,61-83,86-93,186-190H2,1-12H3,(H2,191,241)(H2,192,249)(H,199,205)(H,204,251)(H,206,242)(H,207,252)(H,208,257)(H,209,262)(H,210,264)(H,211,268)(H,212,269)(H,213,259)(H,214,270)(H,215,277)(H,216,271)(H,217,263)(H,218,253)(H,219,254)(H,220,265)(H,221,260)(H,222,275)(H,223,276)(H,224,279)(H,225,272)(H,226,250)(H,227,256)(H,228,255)(H,229,261)(H,230,273)(H,231,278)(H,232,266)(H,233,267)(H,234,274)(H,235,258)(H,243,244)(H,245,246)(H,247,248)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t99-,100+,111-,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-,139-,140-,146-,147-,148-,149-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 280n/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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50164094
PNG
(CHEMBL3800248)
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](CCCCN)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=1/C180H280N54O45S7/c1-13-95(10)142-177(279)234-67-36-52-134(234)172(274)220-125(80-139(244)245)161(263)217-122(77-135(187)238)158(260)218-124(79-138(242)243)160(262)206-110(47-26-31-62-185)151(253)224-130-87-284-282-85-128(165(267)208-108(45-24-29-60-183)148(250)215-119(73-99-53-55-102(237)56-54-99)163(265)230-140(93(6)7)173(275)211-115(144(189)246)71-97-37-16-14-17-38-97)226-156(258)120(74-100-81-200-105-42-21-20-41-103(100)105)216-149(251)107(44-23-28-59-182)205-157(259)121(75-101-82-196-90-201-101)221-175(277)143(96(11)236)232-153(255)112(49-33-64-198-179(192)193)207-164(266)126(83-235)222-168(270)131-88-285-286-89-132(170(272)231-142)225-150(252)109(46-25-30-61-184)202-146(248)111(48-32-63-197-178(190)191)203-152(254)113(57-68-280-12)209-155(257)118(72-98-39-18-15-19-40-98)214-147(249)106(43-22-27-58-181)204-154(256)116(69-91(2)3)213-167(269)127(223-145(247)104(186)76-137(240)241)84-281-283-86-129(227-169(130)271)166(268)210-114(50-34-65-199-180(194)195)176(278)233-66-35-51-133(233)171(273)219-123(78-136(188)239)159(261)212-117(70-92(4)5)162(264)229-141(94(8)9)174(276)228-131/h14-21,37-42,53-56,81-82,90-96,104,106-134,140-143,200,235-237H,13,22-36,43-52,57-80,83-89,181-186H2,1-12H3,(H2,187,238)(H2,188,239)(H2,189,246)(H,196,201)(H,202,248)(H,203,254)(H,204,256)(H,205,259)(H,206,262)(H,207,266)(H,208,267)(H,209,257)(H,210,268)(H,211,275)(H,212,261)(H,213,269)(H,214,249)(H,215,250)(H,216,251)(H,217,263)(H,218,260)(H,219,273)(H,220,274)(H,221,277)(H,222,270)(H,223,247)(H,224,253)(H,225,252)(H,226,258)(H,227,271)(H,228,276)(H,229,264)(H,230,265)(H,231,272)(H,232,255)(H,240,241)(H,242,243)(H,244,245)(H4,190,191,197)(H4,192,193,198)(H4,194,195,199)/t95-,96+,104-,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-,134-,140-,141-,142-,143-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 290n/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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 300n/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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50164177
PNG
(CHEMBL3799535)
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](Cc4cccc5ccccc45)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](Cc2c[nH]cn2)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=1/C185H276N52O44S7/c1-13-99(10)148-182(281)237-70-37-56-140(237)177(276)223-131(83-145(247)248)166(265)220-129(81-141(191)241)164(263)221-130(82-144(245)246)165(264)210-116(51-27-31-65-189)157(256)227-136-91-286-284-89-134(170(269)212-114(49-25-29-63-187)154(253)218-125(76-103-57-59-108(240)60-58-103)168(267)233-146(97(6)7)178(277)215-121(150(192)249)74-101-38-16-14-17-39-101)229-162(261)127(78-106-84-203-112-47-23-22-46-110(106)112)219-155(254)113(48-24-28-62-186)209-163(262)128(79-107-85-199-94-205-107)224-180(279)149(100(11)239)235-159(258)118(53-34-67-201-184(195)196)211-169(268)132(87-238)225-173(272)137-92-287-288-93-138(175(274)234-148)228-156(255)115(50-26-30-64-188)207-153(252)117(52-33-66-200-183(193)194)208-158(257)119(61-71-282-12)213-160(259)124(75-102-40-18-15-19-41-102)206-142(242)86-204-152(251)122(72-95(2)3)216-172(271)133(226-151(250)111(190)80-143(243)244)88-283-285-90-135(230-174(136)273)171(270)214-120(54-35-68-202-185(197)198)181(280)236-69-36-55-139(236)176(275)222-126(77-105-44-32-43-104-42-20-21-45-109(104)105)161(260)217-123(73-96(4)5)167(266)232-147(98(8)9)179(278)231-137/h14-23,32,38-47,57-60,84-85,94-100,111,113-140,146-149,203,238-240H,13,24-31,33-37,48-56,61-83,86-93,186-190H2,1-12H3,(H2,191,241)(H2,192,249)(H,199,205)(H,204,251)(H,206,242)(H,207,252)(H,208,257)(H,209,262)(H,210,264)(H,211,268)(H,212,269)(H,213,259)(H,214,270)(H,215,277)(H,216,271)(H,217,260)(H,218,253)(H,219,254)(H,220,265)(H,221,263)(H,222,275)(H,223,276)(H,224,279)(H,225,272)(H,226,250)(H,227,256)(H,228,255)(H,229,261)(H,230,273)(H,231,278)(H,232,266)(H,233,267)(H,234,274)(H,235,258)(H,243,244)(H,245,246)(H,247,248)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t99-,100+,111-,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-,139-,140-,146-,147-,148-,149-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 400n/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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50164317
PNG
(CHEMBL3797735)
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](Cc2c[nH]c4ccccc24)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=1/C183H276N54O43S7/c1-13-97(10)146-180(280)237-67-36-53-138(237)175(275)222-125(75-103-82-203-110-44-23-21-42-107(103)110)159(259)220-127(78-139(189)241)162(262)221-129(80-143(246)247)164(264)210-114(48-27-31-62-187)155(255)227-134-89-285-283-87-132(168(268)212-112(46-25-29-60-185)152(252)218-123(73-101-54-56-105(240)57-55-101)166(266)233-144(95(6)7)176(276)215-119(148(191)248)71-99-37-16-14-17-38-99)229-160(260)124(74-102-81-202-109-43-22-20-41-106(102)109)219-153(253)111(45-24-28-59-184)209-161(261)126(76-104-83-198-92-205-104)224-178(278)147(98(11)239)235-157(257)116(50-33-64-200-182(194)195)211-167(267)130(85-238)225-171(271)135-90-286-287-91-136(173(273)234-146)228-154(254)113(47-26-30-61-186)207-151(251)115(49-32-63-199-181(192)193)208-156(256)117(58-68-281-12)213-158(258)122(72-100-39-18-15-19-40-100)206-141(243)84-204-150(250)120(69-93(2)3)216-170(270)131(226-149(249)108(188)77-142(244)245)86-282-284-88-133(230-172(134)272)169(269)214-118(51-34-65-201-183(196)197)179(279)236-66-35-52-137(236)174(274)223-128(79-140(190)242)163(263)217-121(70-94(4)5)165(265)232-145(96(8)9)177(277)231-135/h14-23,37-44,54-57,81-83,92-98,108,111-138,144-147,202-203,238-240H,13,24-36,45-53,58-80,84-91,184-188H2,1-12H3,(H2,189,241)(H2,190,242)(H2,191,248)(H,198,205)(H,204,250)(H,206,243)(H,207,251)(H,208,256)(H,209,261)(H,210,264)(H,211,267)(H,212,268)(H,213,258)(H,214,269)(H,215,276)(H,216,270)(H,217,263)(H,218,252)(H,219,253)(H,220,259)(H,221,262)(H,222,275)(H,223,274)(H,224,278)(H,225,271)(H,226,249)(H,227,255)(H,228,254)(H,229,260)(H,230,272)(H,231,277)(H,232,265)(H,233,266)(H,234,273)(H,235,257)(H,244,245)(H,246,247)(H4,192,193,199)(H4,194,195,200)(H4,196,197,201)/t97-,98+,108-,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-,144-,145-,146-,147-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 400n/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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50349984
PNG
(CHEMBL1813048)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 20% inactivated TTX-resistant human sodium channel Nav1.4 expressed in human HEK293 cells at 1 uM by patch-clamp electrophysiological a...


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50077804
PNG
(CHEMBL3416932)
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](CC(C)C)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=1/C177H273N53O45S6/c1-14-93(12)140-174(275)230-63-35-50-131(230)169(270)216-122(76-137(241)242)158(259)213-119(73-132(183)234)155(256)214-121(75-136(239)240)157(258)202-107(45-26-30-58-181)149(250)220-127-84-279-277-82-125(162(263)205-105(43-24-28-56-179)146(247)211-116(69-97-51-53-100(233)54-52-97)160(261)226-138(91(8)9)170(271)207-111(142(185)243)67-95-36-17-15-18-37-95)222-153(254)117(70-98-77-196-103-41-22-21-40-101(98)103)212-147(248)104(42-23-27-55-178)201-154(255)118(71-99-78-192-87-198-99)217-172(273)141(94(13)232)228-150(251)109(47-32-60-194-176(188)189)204-161(262)123(80-231)218-165(266)128-85-280-281-86-129(167(268)227-140)221-148(249)106(44-25-29-57-180)200-145(246)108(46-31-59-193-175(186)187)203-151(252)113(65-89(4)5)209-152(253)115(68-96-38-19-16-20-39-96)199-134(236)79-197-144(245)112(64-88(2)3)208-164(265)124(219-143(244)102(182)72-135(237)238)81-276-278-83-126(223-166(127)267)163(264)206-110(48-33-61-195-177(190)191)173(274)229-62-34-49-130(229)168(269)215-120(74-133(184)235)156(257)210-114(66-90(6)7)159(260)225-139(92(10)11)171(272)224-128/h15-22,36-41,51-54,77-78,87-94,102,104-131,138-141,196,231-233H,14,23-35,42-50,55-76,79-86,178-182H2,1-13H3,(H2,183,234)(H2,184,235)(H2,185,243)(H,192,198)(H,197,245)(H,199,236)(H,200,246)(H,201,255)(H,202,258)(H,203,252)(H,204,262)(H,205,263)(H,206,264)(H,207,271)(H,208,265)(H,209,253)(H,210,257)(H,211,247)(H,212,248)(H,213,259)(H,214,256)(H,215,269)(H,216,270)(H,217,273)(H,218,266)(H,219,244)(H,220,250)(H,221,249)(H,222,254)(H,223,267)(H,224,272)(H,225,260)(H,226,261)(H,227,268)(H,228,251)(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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50164171
PNG
(CHEMBL3798261)
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](Cc2c[nH]cn2)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](Cc2cccc4ccccc24)NC3=O)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=1/C183H271N53O45S7/c1-93(2)69-119-150(251)203-84-141(242)205-121(72-99-37-15-12-16-38-99)158(259)212-116(58-68-282-10)156(257)207-114(49-30-63-199-181(192)193)151(252)206-112(47-23-27-61-186)154(255)227-134-89-286-288-91-136-172(273)225-130(85-237)167(268)210-115(50-31-64-200-182(194)195)157(258)234-147(97(9)238)178(279)223-124(76-104-83-198-92-204-104)160(261)208-110(45-21-25-59-184)153(254)218-123(75-103-82-202-109-44-20-19-43-107(103)109)159(260)229-132(168(269)211-111(46-22-26-60-185)152(253)217-122(73-100-54-56-105(239)57-55-100)166(267)233-145(95(5)6)176(277)214-118(148(191)249)71-98-35-13-11-14-36-98)87-284-287-90-135(228-155(256)113(48-24-28-62-187)209-163(264)127(80-143(245)246)220-161(262)125(78-139(189)240)219-164(265)128(81-144(247)248)222-175(276)138-53-34-67-236(138)180(281)129(224-171(134)272)74-102-41-29-40-101-39-17-18-42-106(101)102)173(274)230-133(88-285-283-86-131(170(271)215-119)226-149(250)108(188)77-142(243)244)169(270)213-117(51-32-65-201-183(196)197)179(280)235-66-33-52-137(235)174(275)221-126(79-140(190)241)162(263)216-120(70-94(3)4)165(266)232-146(96(7)8)177(278)231-136/h11-20,29,35-44,54-57,82-83,92-97,108,110-138,145-147,202,237-239H,21-28,30-34,45-53,58-81,84-91,184-188H2,1-10H3,(H2,189,240)(H2,190,241)(H2,191,249)(H,198,204)(H,203,251)(H,205,242)(H,206,252)(H,207,257)(H,208,261)(H,209,264)(H,210,268)(H,211,269)(H,212,259)(H,213,270)(H,214,277)(H,215,271)(H,216,263)(H,217,253)(H,218,254)(H,219,265)(H,220,262)(H,221,275)(H,222,276)(H,223,279)(H,224,272)(H,225,273)(H,226,250)(H,227,255)(H,228,256)(H,229,260)(H,230,274)(H,231,278)(H,232,266)(H,233,267)(H,234,258)(H,243,244)(H,245,246)(H,247,248)(H4,192,193,199)(H4,194,195,200)(H4,196,197,201)/t97-,108+,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+,138+,145+,146+,147+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 420n/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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50164277
PNG
(CHEMBL3798058)
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](Cc2c[nH]cn2)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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C182H272N54O45S7/c1-11-95(8)145-179(281)236-65-34-51-137(236)175(277)223-128(79-143(247)248)165(267)220-125(76-138(188)240)162(264)221-127(78-142(245)246)164(266)209-112(46-25-29-60-186)154(256)227-133-88-286-284-86-131(168(270)211-110(44-23-27-58-184)151(253)217-121(71-99-52-54-103(239)55-53-99)158(260)219-122(72-100-80-201-107-41-20-18-39-104(100)107)159(261)214-117(147(190)249)69-97-35-14-12-15-36-97)229-160(262)123(73-101-81-202-108-42-21-19-40-105(101)108)218-152(254)109(43-22-26-57-183)208-161(263)124(74-102-82-197-91-204-102)224-177(279)146(96(9)238)234-156(258)114(48-31-62-199-181(193)194)210-167(269)129(84-237)225-171(273)134-89-287-288-90-135(173(275)233-145)228-153(255)111(45-24-28-59-185)206-150(252)113(47-30-61-198-180(191)192)207-155(257)115(56-66-282-10)212-157(259)120(70-98-37-16-13-17-38-98)205-140(242)83-203-149(251)118(67-92(2)3)215-170(272)130(226-148(250)106(187)75-141(243)244)85-283-285-87-132(230-172(133)274)169(271)213-116(49-32-63-200-182(195)196)178(280)235-64-33-50-136(235)174(276)222-126(77-139(189)241)163(265)216-119(68-93(4)5)166(268)232-144(94(6)7)176(278)231-134/h12-21,35-42,52-55,80-82,91-96,106,109-137,144-146,201-202,237-239H,11,22-34,43-51,56-79,83-90,183-187H2,1-10H3,(H2,188,240)(H2,189,241)(H2,190,249)(H,197,204)(H,203,251)(H,205,242)(H,206,252)(H,207,257)(H,208,263)(H,209,266)(H,210,269)(H,211,270)(H,212,259)(H,213,271)(H,214,261)(H,215,272)(H,216,265)(H,217,253)(H,218,254)(H,219,260)(H,220,267)(H,221,264)(H,222,276)(H,223,277)(H,224,279)(H,225,273)(H,226,250)(H,227,256)(H,228,255)(H,229,262)(H,230,274)(H,231,278)(H,232,268)(H,233,275)(H,234,258)(H,243,244)(H,245,246)(H,247,248)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/t95-,96+,106-,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-,144-,145-,146-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 500n/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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50077781
PNG
(CHEMBL3416942)
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](C)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=1/C178H269N53O45S6/c1-13-92(10)141-175(276)231-64-34-51-132(231)170(271)217-123(76-138(242)243)159(260)214-120(73-133(184)235)156(257)215-122(75-137(240)241)158(259)203-109(46-24-28-59-182)151(252)221-128-84-280-278-82-126(163(264)206-107(44-22-26-57-180)148(249)212-116(68-96-52-54-101(234)55-53-96)161(262)227-139(90(6)7)171(272)208-113(143(186)244)67-95-35-15-14-16-36-95)223-154(255)118(70-99-77-197-105-42-20-19-41-103(99)105)213-149(250)106(43-21-25-56-179)202-155(256)119(71-100-78-193-87-199-100)218-173(274)142(94(12)233)229-152(253)111(48-31-61-195-177(189)190)205-162(263)124(80-232)219-166(267)129-85-281-282-86-130(168(269)228-141)222-150(251)108(45-23-27-58-181)201-147(248)110(47-30-60-194-176(187)188)204-153(254)117(69-98-39-29-38-97-37-17-18-40-102(97)98)209-144(245)93(11)200-135(237)79-198-146(247)114(65-88(2)3)210-165(266)125(220-145(246)104(183)72-136(238)239)81-277-279-83-127(224-167(128)268)164(265)207-112(49-32-62-196-178(191)192)174(275)230-63-33-50-131(230)169(270)216-121(74-134(185)236)157(258)211-115(66-89(4)5)160(261)226-140(91(8)9)172(273)225-129/h14-20,29,35-42,52-55,77-78,87-94,104,106-132,139-142,197,232-234H,13,21-28,30-34,43-51,56-76,79-86,179-183H2,1-12H3,(H2,184,235)(H2,185,236)(H2,186,244)(H,193,199)(H,198,247)(H,200,237)(H,201,248)(H,202,256)(H,203,259)(H,204,254)(H,205,263)(H,206,264)(H,207,265)(H,208,272)(H,209,245)(H,210,266)(H,211,258)(H,212,249)(H,213,250)(H,214,260)(H,215,257)(H,216,270)(H,217,271)(H,218,274)(H,219,267)(H,220,246)(H,221,252)(H,222,251)(H,223,255)(H,224,268)(H,225,273)(H,226,261)(H,227,262)(H,228,269)(H,229,253)(H,238,239)(H,240,241)(H,242,243)(H4,187,188,194)(H4,189,190,195)(H4,191,192,196)/t92-,93-,94+,104-,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-,142-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/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
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50164289
PNG
(CHEMBL3800566)
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](Cc3cccc4ccccc34)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](Cc2c[nH]cn2)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=1/C187H279N53O45S7/c1-13-99(10)149-184(285)240-70-37-56-141(240)179(280)226-132(84-146(250)251)168(269)223-129(81-142(193)244)165(266)224-131(83-145(248)249)167(268)211-116(51-27-31-65-191)157(258)230-137-91-290-288-89-135(172(273)213-114(49-25-29-63-189)154(255)219-125(76-103-57-59-108(243)60-58-103)170(271)236-147(97(6)7)180(281)216-121(151(195)252)74-101-38-16-14-17-39-101)232-163(264)127(78-106-85-206-112-47-23-22-46-110(106)112)221-155(256)113(48-24-28-62-188)210-164(265)128(79-107-86-202-94-207-107)227-182(283)150(100(11)242)238-159(260)118(53-34-67-204-186(198)199)212-171(272)133(87-241)228-175(276)138-92-291-292-93-139(177(278)237-149)231-156(257)115(50-26-30-64-190)208-153(254)117(52-33-66-203-185(196)197)209-158(259)119(61-71-286-12)214-161(262)124(75-102-40-18-15-19-41-102)220-162(263)126(77-105-44-32-43-104-42-20-21-45-109(104)105)222-160(261)122(72-95(2)3)218-174(275)134(229-152(253)111(192)80-144(246)247)88-287-289-90-136(233-176(137)277)173(274)215-120(54-35-68-205-187(200)201)183(284)239-69-36-55-140(239)178(279)225-130(82-143(194)245)166(267)217-123(73-96(4)5)169(270)235-148(98(8)9)181(282)234-138/h14-23,32,38-47,57-60,85-86,94-100,111,113-141,147-150,206,241-243H,13,24-31,33-37,48-56,61-84,87-93,188-192H2,1-12H3,(H2,193,244)(H2,194,245)(H2,195,252)(H,202,207)(H,208,254)(H,209,259)(H,210,265)(H,211,268)(H,212,272)(H,213,273)(H,214,262)(H,215,274)(H,216,281)(H,217,267)(H,218,275)(H,219,255)(H,220,263)(H,221,256)(H,222,261)(H,223,269)(H,224,266)(H,225,279)(H,226,280)(H,227,283)(H,228,276)(H,229,253)(H,230,258)(H,231,257)(H,232,264)(H,233,277)(H,234,282)(H,235,270)(H,236,271)(H,237,278)(H,238,260)(H,246,247)(H,248,249)(H,250,251)(H4,196,197,203)(H4,198,199,204)(H4,200,201,205)/t99-,100+,111-,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-,139-,140-,141-,147-,148-,149-,150-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 500n/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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)


(Homo sapiens (Human))
BDBM50164165
PNG
(CHEMBL3798479)
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](Cc2c[nH]cn2)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](Cc2cccc4ccccc24)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=1/C185H277N53O43S7/c1-13-99(10)148-182(281)238-70-37-56-140(238)177(276)223-126(77-105-44-32-43-104-42-20-21-45-109(104)105)161(260)221-129(81-141(191)242)164(263)222-131(83-145(247)248)166(265)211-116(51-27-31-65-189)157(256)228-136-91-286-284-89-134(170(269)213-114(49-25-29-63-187)154(253)219-125(76-103-57-59-108(241)60-58-103)168(267)234-146(97(6)7)178(277)216-121(150(193)249)74-101-38-16-14-17-39-101)230-162(261)127(78-106-84-204-112-47-23-22-46-110(106)112)220-155(254)113(48-24-28-62-186)210-163(262)128(79-107-85-200-94-206-107)225-180(279)149(100(11)240)236-159(258)118(53-34-67-202-184(196)197)212-169(268)132(87-239)226-173(272)137-92-287-288-93-138(175(274)235-148)229-156(255)115(50-26-30-64-188)208-153(252)117(52-33-66-201-183(194)195)209-158(257)119(61-71-282-12)214-160(259)124(75-102-40-18-15-19-41-102)207-143(244)86-205-152(251)122(72-95(2)3)217-172(271)133(227-151(250)111(190)80-144(245)246)88-283-285-90-135(231-174(136)273)171(270)215-120(54-35-68-203-185(198)199)181(280)237-69-36-55-139(237)176(275)224-130(82-142(192)243)165(264)218-123(73-96(4)5)167(266)233-147(98(8)9)179(278)232-137/h14-23,32,38-47,57-60,84-85,94-100,111,113-140,146-149,204,239-241H,13,24-31,33-37,48-56,61-83,86-93,186-190H2,1-12H3,(H2,191,242)(H2,192,243)(H2,193,249)(H,200,206)(H,205,251)(H,207,244)(H,208,252)(H,209,257)(H,210,262)(H,211,265)(H,212,268)(H,213,269)(H,214,259)(H,215,270)(H,216,277)(H,217,271)(H,218,264)(H,219,253)(H,220,254)(H,221,260)(H,222,263)(H,223,276)(H,224,275)(H,225,279)(H,226,272)(H,227,250)(H,228,256)(H,229,255)(H,230,261)(H,231,273)(H,232,278)(H,233,266)(H,234,267)(H,235,274)(H,236,258)(H,245,246)(H,247,248)(H4,194,195,201)(H4,196,197,202)(H4,198,199,203)/t99-,100+,111-,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-,139-,140-,146-,147-,148-,149-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 500n/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)


BindingDB Entry DOI: 10.7270/Q2S184D5
More data for this
Ligand-Target Pair
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