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Compile Data Set for Download or QSAR

Found 122 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type II alpha subunit' AND taxid = 10116   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium (Site 2)


(Rattus norvegicus)
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Sodium (Site 2)


(Rattus norvegicus)
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Sodium (Site 2)


(Rattus norvegicus)
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Sodium (Site 2)


(Rattus norvegicus)
BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1156-64 (2000)

More data for this
Ligand-Target Pair
Sodium (Site 2)


(Rattus norvegicus)
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




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


(Rattus norvegicus)
BDBM50051090
PNG
(CHEMBL3318149)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@@H]2NC(=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)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1
Show InChI InChI=1/C169H252N46O41S8/c1-87(2)67-118-152(240)204-121(71-93-76-184-103-36-16-12-32-98(93)103)155(243)210-127(160(248)194-107(40-20-25-59-171)142(230)189-106(39-19-24-58-170)141(229)190-108(41-21-26-60-172)144(232)201-119(68-88(3)4)153(241)206-124(167(255)256-8)73-95-78-186-105-38-18-14-34-100(95)105)82-260-262-84-129-164(252)211-128-83-261-259-81-126(208-139(227)101(175)69-91-46-48-96(218)49-47-91)159(247)198-114(50-53-132(176)219)148(236)192-109(42-22-27-61-173)145(233)202-120(70-92-75-183-102-35-15-11-31-97(92)102)154(242)199-117(57-66-258-10)150(238)203-122(72-94-77-185-104-37-17-13-33-99(94)104)157(245)215-138(90(7)217)166(254)213-131(163(251)205-123(74-136(225)226)156(244)207-125(80-216)158(246)197-115(52-55-135(223)224)149(237)193-111(44-29-63-181-168(177)178)143(231)191-110(147(235)209-129)43-23-28-62-174)86-264-263-85-130(162(250)195-112(146(234)200-118)45-30-64-182-169(179)180)212-165(253)137(89(5)6)214-151(239)116(56-65-257-9)188-133(220)79-187-140(228)113(196-161(128)249)51-54-134(221)222/h11-18,31-38,46-49,75-78,87-90,101,106-131,137-138,183-186,216-218H,19-30,39-45,50-74,79-86,170-175H2,1-10H3,(H2,176,219)(H,187,228)(H,188,220)(H,189,230)(H,190,229)(H,191,231)(H,192,236)(H,193,237)(H,194,248)(H,195,250)(H,196,249)(H,197,246)(H,198,247)(H,199,242)(H,200,234)(H,201,232)(H,202,233)(H,203,238)(H,204,240)(H,205,251)(H,206,241)(H,207,244)(H,208,227)(H,209,235)(H,210,243)(H,211,252)(H,212,253)(H,213,254)(H,214,239)(H,215,245)(H,221,222)(H,223,224)(H,225,226)(H4,177,178,181)(H4,179,180,182)/t90-,101+,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+,137+,138+/s2
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n/an/a 2.80n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50051091
PNG
(CHEMBL3318150)
Show SMILES CSCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CSSC[C@H](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)N2)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]c2ccccc12)C(=O)Nc1ccccc1
Show InChI InChI=1/C174H255N47O40S8/c1-91(2)71-123(158(247)210-125(157(246)193-100-33-11-10-12-34-100)74-96-79-188-107-39-17-13-35-102(96)107)206-149(238)113(45-23-28-64-177)196-146(235)111(43-21-26-62-175)195-147(236)112(44-22-27-63-176)200-166(255)132-86-265-267-88-134-170(259)217-133-87-266-264-85-131(214-144(233)106(180)73-95-50-52-101(224)53-51-95)165(254)204-119(54-57-137(181)225)153(242)198-114(46-24-29-65-178)150(239)208-126(75-97-80-189-108-40-18-14-36-103(97)108)160(249)205-122(61-70-263-9)155(244)209-128(77-99-82-191-110-42-20-16-38-105(99)110)163(252)221-143(94(7)223)172(261)219-136(169(258)212-129(78-141(231)232)162(251)213-130(84-222)164(253)203-120(56-59-140(229)230)154(243)199-116(48-31-67-186-173(182)183)148(237)197-115(152(241)215-134)47-25-30-66-179)90-269-268-89-135(218-171(260)142(93(5)6)220-156(245)121(60-69-262-8)194-138(226)83-192-145(234)118(202-167(133)256)55-58-139(227)228)168(257)201-117(49-32-68-187-174(184)185)151(240)207-124(72-92(3)4)159(248)211-127(161(250)216-132)76-98-81-190-109-41-19-15-37-104(98)109/h10-20,33-42,50-53,79-82,91-94,106,111-136,142-143,188-191,222-224H,21-32,43-49,54-78,83-90,175-180H2,1-9H3,(H2,181,225)(H,192,234)(H,193,246)(H,194,226)(H,195,236)(H,196,235)(H,197,237)(H,198,242)(H,199,243)(H,200,255)(H,201,257)(H,202,256)(H,203,253)(H,204,254)(H,205,249)(H,206,238)(H,207,240)(H,208,239)(H,209,244)(H,210,247)(H,211,248)(H,212,258)(H,213,251)(H,214,233)(H,215,241)(H,216,250)(H,217,259)(H,218,260)(H,219,261)(H,220,245)(H,221,252)(H,227,228)(H,229,230)(H,231,232)(H4,182,183,186)(H4,184,185,187)/t94-,106+,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+,142+,143+/s2
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n/an/a 3n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50051089
PNG
(CHEMBL3318148)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@@H]2NC(=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)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1
Show InChI InChI=1/C169H253N47O40S8/c1-87(2)67-118(153(242)203-120(140(229)181-8)70-92-75-184-102-35-15-11-31-97(92)102)201-145(234)108(41-21-26-60-172)191-142(231)106(39-19-24-58-170)190-143(232)107(40-20-25-59-171)195-161(250)127-82-260-262-84-129-165(254)212-128-83-261-259-81-126(209-139(228)101(175)69-91-46-48-96(219)49-47-91)160(249)199-114(50-53-132(176)220)149(238)193-109(42-22-27-61-173)146(235)204-121(71-93-76-185-103-36-16-12-32-98(93)103)155(244)200-117(57-66-258-10)151(240)205-123(73-95-78-187-105-38-18-14-34-100(95)105)158(247)216-138(90(7)218)167(256)214-131(164(253)207-124(74-136(226)227)157(246)208-125(80-217)159(248)198-115(52-55-135(224)225)150(239)194-111(44-29-63-182-168(177)178)144(233)192-110(148(237)210-129)43-23-28-62-174)86-264-263-85-130(213-166(255)137(89(5)6)215-152(241)116(56-65-257-9)189-133(221)79-188-141(230)113(197-162(128)251)51-54-134(222)223)163(252)196-112(45-30-64-183-169(179)180)147(236)202-119(68-88(3)4)154(243)206-122(156(245)211-127)72-94-77-186-104-37-17-13-33-99(94)104/h11-18,31-38,46-49,75-78,87-90,101,106-131,137-138,184-187,217-219H,19-30,39-45,50-74,79-86,170-175H2,1-10H3,(H2,176,220)(H,181,229)(H,188,230)(H,189,221)(H,190,232)(H,191,231)(H,192,233)(H,193,238)(H,194,239)(H,195,250)(H,196,252)(H,197,251)(H,198,248)(H,199,249)(H,200,244)(H,201,234)(H,202,236)(H,203,242)(H,204,235)(H,205,240)(H,206,243)(H,207,253)(H,208,246)(H,209,228)(H,210,237)(H,211,245)(H,212,254)(H,213,255)(H,214,256)(H,215,241)(H,216,247)(H,222,223)(H,224,225)(H,226,227)(H4,177,178,182)(H4,179,180,183)/t90-,101+,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+,137+,138+/s2
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n/an/a 3.5n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


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



Cambridge NeuroScience Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)


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


(Rattus norvegicus)
BDBM50051075
PNG
(CHEMBL3318134)
Show SMILES CSCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N2)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]c2ccccc12)C(O)=O
Show InChI InChI=1/C166H248N46O39S8/c1-85(2)65-116-149(235)201-119(69-92-74-181-102-36-16-12-32-97(92)102)152(238)207-125(157(243)192-106(40-20-25-57-168)140(226)188-105(39-19-24-56-167)139(225)189-107(41-21-26-58-169)142(228)198-117(66-86(3)4)150(236)203-122(164(250)251)71-94-76-183-104-38-18-14-34-99(94)104)80-255-257-82-127-161(247)208-126-81-256-254-79-124(205-137(223)100(172)67-90-46-48-95(215)49-47-90)156(242)195-113(50-52-130(173)216)146(232)191-108(42-22-27-59-170)143(229)199-118(68-91-73-180-101-35-15-11-31-96(91)101)151(237)196-115(55-64-253-10)147(233)200-120(70-93-75-182-103-37-17-13-33-98(93)103)154(240)212-135(89(8)214)163(249)210-129(160(246)202-121(72-133(220)221)153(239)204-123(78-213)155(241)185-88(7)136(222)187-110(44-29-61-178-165(174)175)141(227)190-109(145(231)206-127)43-23-28-60-171)84-259-258-83-128(159(245)193-111(144(230)197-116)45-30-62-179-166(176)177)209-162(248)134(87(5)6)211-148(234)114(54-63-252-9)186-131(217)77-184-138(224)112(194-158(126)244)51-53-132(218)219/h11-18,31-38,46-49,73-76,85-89,100,105-129,134-135,180-183,213-215H,19-30,39-45,50-72,77-84,167-172H2,1-10H3,(H2,173,216)(H,184,224)(H,185,241)(H,186,217)(H,187,222)(H,188,226)(H,189,225)(H,190,227)(H,191,232)(H,192,243)(H,193,245)(H,194,244)(H,195,242)(H,196,237)(H,197,230)(H,198,228)(H,199,229)(H,200,233)(H,201,235)(H,202,246)(H,203,236)(H,204,239)(H,205,223)(H,206,231)(H,207,238)(H,208,247)(H,209,248)(H,210,249)(H,211,234)(H,212,240)(H,218,219)(H,220,221)(H,250,251)(H4,174,175,178)(H4,176,177,179)/t88-,89+,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-,134-,135-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50051088
PNG
(CHEMBL3318147)
Show SMILES CSCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CSSC[C@H](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)N2)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]c2ccccc12)C(N)=O
Show InChI InChI=1/C168H251N47O40S8/c1-86(2)66-118(152(241)200-117(138(176)227)69-91-74-183-101-34-14-10-30-96(91)101)201-144(233)107(40-20-25-59-171)190-141(230)105(38-18-23-57-169)189-142(231)106(39-19-24-58-170)194-160(249)126-81-259-261-83-128-164(253)211-127-82-260-258-80-125(208-139(228)100(174)68-90-45-47-95(218)48-46-90)159(248)198-113(49-52-131(175)219)148(237)192-108(41-21-26-60-172)145(234)203-120(70-92-75-184-102-35-15-11-31-97(92)102)154(243)199-116(56-65-257-9)150(239)204-122(72-94-77-186-104-37-17-13-33-99(94)104)157(246)215-137(89(7)217)166(255)213-130(163(252)206-123(73-135(225)226)156(245)207-124(79-216)158(247)197-114(51-54-134(223)224)149(238)193-110(43-28-62-181-167(177)178)143(232)191-109(147(236)209-128)42-22-27-61-173)85-263-262-84-129(212-165(254)136(88(5)6)214-151(240)115(55-64-256-8)188-132(220)78-187-140(229)112(196-161(127)250)50-53-133(221)222)162(251)195-111(44-29-63-182-168(179)180)146(235)202-119(67-87(3)4)153(242)205-121(155(244)210-126)71-93-76-185-103-36-16-12-32-98(93)103/h10-17,30-37,45-48,74-77,86-89,100,105-130,136-137,183-186,216-218H,18-29,38-44,49-73,78-85,169-174H2,1-9H3,(H2,175,219)(H2,176,227)(H,187,229)(H,188,220)(H,189,231)(H,190,230)(H,191,232)(H,192,237)(H,193,238)(H,194,249)(H,195,251)(H,196,250)(H,197,247)(H,198,248)(H,199,243)(H,200,241)(H,201,233)(H,202,235)(H,203,234)(H,204,239)(H,205,242)(H,206,252)(H,207,245)(H,208,228)(H,209,236)(H,210,244)(H,211,253)(H,212,254)(H,213,255)(H,214,240)(H,215,246)(H,221,222)(H,223,224)(H,225,226)(H4,177,178,181)(H4,179,180,182)/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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Na+ influx in chinese hamster ovary cells expressing rat brain sodium channel type IIA


J Med Chem 37: 268-74 (1994)

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


(Rattus norvegicus)
BDBM50051077
PNG
(CHEMBL3318136)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(C)C)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]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1/C167H250N46O39S7/c1-85(2)64-116-154(240)212-135(88(7)8)163(249)210-129-83-258-259-84-130-161(247)203-122(72-134(221)222)153(239)205-124(78-214)156(242)186-89(9)137(223)188-111(45-30-61-179-166(175)176)142(228)191-110(44-24-29-60-172)146(232)207-128(82-257-255-80-126(208-152(238)120(69-93-74-182-103-37-17-13-33-98(93)103)202-149(235)117(65-86(3)4)198-145(231)112(194-160(129)246)46-31-62-180-167(177)178)158(244)193-107(41-21-26-57-169)141(227)189-106(40-20-25-56-168)140(226)190-108(42-22-27-58-170)143(229)199-118(66-87(5)6)150(236)204-123(165(251)252)71-95-76-184-105-39-19-15-35-100(95)105)162(248)209-127(159(245)195-113(52-54-133(219)220)139(225)185-77-132(218)187-116)81-256-254-79-125(206-138(224)101(173)67-91-47-49-96(216)50-48-91)157(243)196-114(51-53-131(174)217)147(233)192-109(43-23-28-59-171)144(230)200-119(68-92-73-181-102-36-16-12-32-97(92)102)151(237)197-115(55-63-253-11)148(234)201-121(155(241)213-136(90(10)215)164(250)211-130)70-94-75-183-104-38-18-14-34-99(94)104/h12-19,32-39,47-50,73-76,85-90,101,106-130,135-136,181-184,214-216H,20-31,40-46,51-72,77-84,168-173H2,1-11H3,(H2,174,217)(H,185,225)(H,186,242)(H,187,218)(H,188,223)(H,189,227)(H,190,226)(H,191,228)(H,192,233)(H,193,244)(H,194,246)(H,195,245)(H,196,243)(H,197,237)(H,198,231)(H,199,229)(H,200,230)(H,201,234)(H,202,235)(H,203,247)(H,204,236)(H,205,239)(H,206,224)(H,207,232)(H,208,238)(H,209,248)(H,210,249)(H,211,250)(H,212,240)(H,213,241)(H,219,220)(H,221,222)(H,251,252)(H4,175,176,179)(H4,177,178,180)/t89-,90+,101-,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-,135-,136-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50051084
PNG
(CHEMBL3318143)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1/C168H252N46O39S7/c1-86(2)65-117-152(239)212-135(89(7)8)162(249)209-129-84-259-260-85-130-159(246)203-122(72-134(222)223)151(238)204-124(79-215)154(241)187-90(9)137(224)189-111(46-31-62-180-166(176)177)142(229)191-110(44-24-29-60-172)145(232)206-128(83-258-256-81-126(207-150(237)120(69-94-75-183-104-38-18-14-34-99(94)104)202-148(235)118(66-87(3)4)199-144(231)112(194-158(129)245)47-32-63-181-167(178)179)156(243)193-108(42-22-27-58-170)140(227)190-107(41-21-26-57-169)141(228)195-113(45-25-30-61-173)161(248)214-168(11,73-88(5)6)165(253)211-123(164(251)252)71-96-77-185-106-40-20-16-36-101(96)106)160(247)208-127(157(244)196-114(53-55-133(220)221)139(226)186-78-132(219)188-117)82-257-255-80-125(205-138(225)102(174)67-92-48-50-97(217)51-49-92)155(242)197-115(52-54-131(175)218)146(233)192-109(43-23-28-59-171)143(230)200-119(68-93-74-182-103-37-17-13-33-98(93)103)149(236)198-116(56-64-254-12)147(234)201-121(153(240)213-136(91(10)216)163(250)210-130)70-95-76-184-105-39-19-15-35-100(95)105/h13-20,33-40,48-51,74-77,86-91,102,107-130,135-136,182-185,215-217H,21-32,41-47,52-73,78-85,169-174H2,1-12H3,(H2,175,218)(H,186,226)(H,187,241)(H,188,219)(H,189,224)(H,190,227)(H,191,229)(H,192,233)(H,193,243)(H,194,245)(H,195,228)(H,196,244)(H,197,242)(H,198,236)(H,199,231)(H,200,230)(H,201,234)(H,202,235)(H,203,246)(H,204,238)(H,205,225)(H,206,232)(H,207,237)(H,208,247)(H,209,249)(H,210,250)(H,211,253)(H,212,239)(H,213,240)(H,214,248)(H,220,221)(H,222,223)(H,251,252)(H4,176,177,180)(H4,178,179,181)/t90-,91+,102-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,135-,136-,168-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50051079
PNG
(CHEMBL3318138)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1/C173H261N47O40S7/c1-14-92(10)140(169(257)209-122(69-90(6)7)155(243)210-127(171(259)260)74-99-79-190-109-42-22-18-38-104(99)109)219-153(241)114(47-27-32-63-178)198-145(233)110(43-23-28-59-174)195-146(234)111(44-24-29-60-175)199-163(251)130-83-263-265-85-132-167(255)215-131-84-264-262-82-129(212-143(231)105(179)70-95-50-52-100(223)53-51-95)162(250)202-118(54-56-135(180)224)151(239)197-112(45-25-30-61-176)148(236)205-123(71-96-76-187-106-39-19-15-35-101(96)106)156(244)203-119(58-66-261-13)152(240)206-125(73-98-78-189-108-41-21-17-37-103(98)108)160(248)220-141(94(12)222)170(258)217-134(166(254)208-126(75-138(228)229)158(246)211-128(81-221)161(249)192-93(11)142(230)194-115(48-33-64-185-172(181)182)147(235)196-113(150(238)213-132)46-26-31-62-177)87-267-266-86-133(216-168(256)139(91(8)9)218-159(247)120(67-88(2)3)193-136(225)80-191-144(232)117(201-164(131)252)55-57-137(226)227)165(253)200-116(49-34-65-186-173(183)184)149(237)204-121(68-89(4)5)154(242)207-124(157(245)214-130)72-97-77-188-107-40-20-16-36-102(97)107/h15-22,35-42,50-53,76-79,88-94,105,110-134,139-141,187-190,221-223H,14,23-34,43-49,54-75,80-87,174-179H2,1-13H3,(H2,180,224)(H,191,232)(H,192,249)(H,193,225)(H,194,230)(H,195,234)(H,196,235)(H,197,239)(H,198,233)(H,199,251)(H,200,253)(H,201,252)(H,202,250)(H,203,244)(H,204,237)(H,205,236)(H,206,240)(H,207,242)(H,208,254)(H,209,257)(H,210,243)(H,211,246)(H,212,231)(H,213,238)(H,214,245)(H,215,255)(H,216,256)(H,217,258)(H,218,247)(H,219,241)(H,220,248)(H,226,227)(H,228,229)(H,259,260)(H4,181,182,185)(H4,183,184,186)/t92-,93-,94+,105-,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-,139-,140-,141-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50118517
PNG
(CHEMBL3617067)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1/C166H263N53O50S6/c1-9-83(8)132(133(176)238)218-144(249)99(43-46-129(234)235)198-145(250)103(57-85-37-39-88(224)40-38-85)201-139(244)94(32-17-21-49-169)195-157(262)116(75-272)214-146(251)104(58-86-64-184-91-29-14-13-28-89(86)91)202-141(246)97(35-24-52-183-166(179)180)193-147(252)105(59-87-65-181-79-188-87)203-140(245)93(31-16-20-48-168)192-138(243)96(34-23-51-182-165(177)178)194-152(257)110(69-220)210-160(265)119(78-275)216-163(268)131(82(6)7)217-151(256)101(55-81(4)5)200-148(253)106(60-122(173)226)204-153(258)111(70-221)209-155(260)112(71-222)208-142(247)95(33-18-22-50-170)196-158(263)117(76-273)215-161(266)118(77-274)213-143(248)98(42-44-121(172)225)197-150(255)108(63-130(236)237)206-149(254)107(61-123(174)227)205-154(259)113(72-223)211-162(267)120-36-25-53-219(120)164(269)109(62-124(175)228)207-156(261)114(73-270)191-127(231)68-185-135(240)92(30-15-19-47-167)189-125(229)66-187-137(242)102(56-84-26-11-10-12-27-84)190-126(230)67-186-136(241)100(54-80(2)3)199-159(264)115(74-271)212-134(239)90(171)41-45-128(232)233/h10-14,26-29,37-40,64-65,79-83,90,92-120,131-132,184,220-224,270-275H,9,15-25,30-36,41-63,66-78,167-171H2,1-8H3,(H2,172,225)(H2,173,226)(H2,174,227)(H2,175,228)(H2,176,238)(H,181,188)(H,185,240)(H,186,241)(H,187,242)(H,189,229)(H,190,230)(H,191,231)(H,192,243)(H,193,252)(H,194,257)(H,195,262)(H,196,263)(H,197,255)(H,198,250)(H,199,264)(H,200,253)(H,201,244)(H,202,246)(H,203,245)(H,204,258)(H,205,259)(H,206,254)(H,207,261)(H,208,247)(H,209,260)(H,210,265)(H,211,267)(H,212,239)(H,213,248)(H,214,251)(H,215,266)(H,216,268)(H,217,256)(H,218,249)(H,232,233)(H,234,235)(H,236,237)(H4,177,178,182)(H4,179,180,183)/t83-,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,131-,132-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat NaV1.2 channel


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


(Rattus norvegicus)
BDBM50051076
PNG
(CHEMBL3318135)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(C)C)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]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1/C169H252N46O41S7/c1-86(2)65-117-156(244)214-137(89(7)8)165(253)212-130-84-262-263-85-131-163(251)205-123(73-136(225)226)155(243)207-125(79-216)158(246)197-115(52-55-135(223)224)149(237)193-111(44-29-62-181-168(177)178)143(231)191-110(43-23-28-61-174)147(235)209-129(83-261-259-81-127(210-154(242)121(70-93-75-184-103-36-16-12-32-98(93)103)204-151(239)118(66-87(3)4)200-146(234)112(195-162(130)250)45-30-63-182-169(179)180)160(248)194-107(40-20-25-58-171)142(230)189-106(39-19-24-57-170)141(229)190-108(41-21-26-59-172)144(232)201-119(67-88(5)6)152(240)206-124(167(255)256)72-95-77-186-105-38-18-14-34-100(95)105)164(252)211-128(161(249)196-113(51-54-134(221)222)140(228)187-78-133(220)188-117)82-260-258-80-126(208-139(227)101(175)68-91-46-48-96(218)49-47-91)159(247)198-114(50-53-132(176)219)148(236)192-109(42-22-27-60-173)145(233)202-120(69-92-74-183-102-35-15-11-31-97(92)102)153(241)199-116(56-64-257-10)150(238)203-122(157(245)215-138(90(9)217)166(254)213-131)71-94-76-185-104-37-17-13-33-99(94)104/h11-18,31-38,46-49,74-77,86-90,101,106-131,137-138,183-186,216-218H,19-30,39-45,50-73,78-85,170-175H2,1-10H3,(H2,176,219)(H,187,228)(H,188,220)(H,189,230)(H,190,229)(H,191,231)(H,192,236)(H,193,237)(H,194,248)(H,195,250)(H,196,249)(H,197,246)(H,198,247)(H,199,241)(H,200,234)(H,201,232)(H,202,233)(H,203,238)(H,204,239)(H,205,251)(H,206,240)(H,207,243)(H,208,227)(H,209,235)(H,210,242)(H,211,252)(H,212,253)(H,213,254)(H,214,244)(H,215,245)(H,221,222)(H,223,224)(H,225,226)(H,255,256)(H4,177,178,181)(H4,179,180,182)/t90-,101+,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+,137+,138+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50051082
PNG
(CHEMBL3318141)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1/C167H249N45O39S7/c1-14-87(9)134(162(247)201-121(165(250)251)70-95-75-183-105-41-23-19-37-100(95)105)211-163(248)135(88(10)15-2)210-147(232)109(45-27-31-60-171)190-140(225)106(42-24-28-57-168)191-156(241)124-79-254-256-81-126-160(245)206-125-80-255-253-78-123(203-138(223)101(172)66-91-48-50-96(215)51-49-91)155(240)194-113(52-54-129(173)216)145(230)189-107(43-25-29-58-169)142(227)197-117(67-92-72-180-102-38-20-16-34-97(92)102)149(234)195-114(56-63-252-13)146(231)198-119(69-94-74-182-104-40-22-18-36-99(94)104)153(238)212-136(90(12)214)164(249)208-128(159(244)200-120(71-132(220)221)151(236)202-122(77-213)154(239)185-89(11)137(222)187-110(46-32-61-178-166(174)175)141(226)188-108(144(229)204-126)44-26-30-59-170)83-258-257-82-127(207-161(246)133(86(7)8)209-152(237)115(64-84(3)4)186-130(217)76-184-139(224)112(193-157(125)242)53-55-131(218)219)158(243)192-111(47-33-62-179-167(176)177)143(228)196-116(65-85(5)6)148(233)199-118(150(235)205-124)68-93-73-181-103-39-21-17-35-98(93)103/h16-23,34-41,48-51,72-75,84-90,101,106-128,133-136,180-183,213-215H,14-15,24-33,42-47,52-71,76-83,168-172H2,1-13H3,(H2,173,216)(H,184,224)(H,185,239)(H,186,217)(H,187,222)(H,188,226)(H,189,230)(H,190,225)(H,191,241)(H,192,243)(H,193,242)(H,194,240)(H,195,234)(H,196,228)(H,197,227)(H,198,231)(H,199,233)(H,200,244)(H,201,247)(H,202,236)(H,203,223)(H,204,229)(H,205,235)(H,206,245)(H,207,246)(H,208,249)(H,209,237)(H,210,232)(H,211,248)(H,212,238)(H,218,219)(H,220,221)(H,250,251)(H4,174,175,178)(H4,176,177,179)/t87-,88-,89-,90+,101-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,133-,134-,135-,136-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50262566
PNG
((2S,3S)-3-[(1R)-6-Methoxy-1-methyl-1-trifluorometh...)
Show SMILES COc1cc2CCO[C@](C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H29F3N2O2/c1-23(24(25,26)27)19-13-18(21(30-2)14-17(19)10-12-31-23)15-29-20-9-6-11-28-22(20)16-7-4-3-5-8-16/h3-5,7-8,13-14,20,22,28-29H,6,9-12,15H2,1-2H3/t20-,22-,23+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]batrachotoxinin from rat sodium channel type 2A subunit expressed in CHO-CNa2A cells by whole cell patch clamp technique


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


(Rattus norvegicus)
BDBM50051081
PNG
(CHEMBL3318140)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1/C167H249N45O39S7/c1-14-88(10)135(163(248)201-117(65-86(6)7)149(234)202-122(165(250)251)70-95-75-183-105-40-22-18-36-100(95)105)211-147(232)109(44-26-30-59-171)190-140(225)106(41-23-27-56-168)191-157(242)125-79-254-256-81-127-161(246)207-126-80-255-253-78-124(204-138(223)101(172)66-91-47-49-96(215)50-48-91)156(241)194-113(51-53-130(173)216)145(230)189-107(42-24-28-57-169)142(227)197-118(67-92-72-180-102-37-19-15-33-97(92)102)150(235)195-114(55-62-252-13)146(231)198-120(69-94-74-182-104-39-21-17-35-99(94)104)154(239)212-136(90(12)214)164(249)209-129(160(245)200-121(71-133(220)221)152(237)203-123(77-213)155(240)185-89(11)137(222)187-110(45-31-60-178-166(174)175)141(226)188-108(144(229)205-127)43-25-29-58-170)83-258-257-82-128(208-162(247)134(87(8)9)210-153(238)115(63-84(2)3)186-131(217)76-184-139(224)112(193-158(126)243)52-54-132(218)219)159(244)192-111(46-32-61-179-167(176)177)143(228)196-116(64-85(4)5)148(233)199-119(151(236)206-125)68-93-73-181-103-38-20-16-34-98(93)103/h15-22,33-40,47-50,72-75,84-90,101,106-129,134-136,180-183,213-215H,14,23-32,41-46,51-71,76-83,168-172H2,1-13H3,(H2,173,216)(H,184,224)(H,185,240)(H,186,217)(H,187,222)(H,188,226)(H,189,230)(H,190,225)(H,191,242)(H,192,244)(H,193,243)(H,194,241)(H,195,235)(H,196,228)(H,197,227)(H,198,231)(H,199,233)(H,200,245)(H,201,248)(H,202,234)(H,203,237)(H,204,223)(H,205,229)(H,206,236)(H,207,246)(H,208,247)(H,209,249)(H,210,238)(H,211,232)(H,212,239)(H,218,219)(H,220,221)(H,250,251)(H4,174,175,178)(H4,176,177,179)/t88-,89-,90+,101-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,134-,135-,136-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50051086
PNG
(CHEMBL3318145)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1/C168H252N46O39S7/c1-86(2)65-117-153(239)212-136(89(7)8)163(249)210-129-84-259-260-85-130-160(246)203-122(73-135(222)223)152(238)205-124(79-215)155(241)187-90(9)138(224)189-111(46-31-62-180-167(176)177)142(228)191-110(44-24-29-60-172)146(232)207-128(83-258-256-81-126(208-151(237)120(70-94-75-183-104-38-18-14-34-99(94)104)202-149(235)118(66-87(3)4)199-145(231)112(194-159(129)245)47-32-63-181-168(178)179)157(243)193-107(41-21-26-57-169)141(227)190-108(42-22-27-58-170)143(229)198-116(45-25-30-61-173)165(251)214(11)131(67-88(5)6)162(248)204-123(166(252)253)72-96-77-185-106-40-20-16-36-101(96)106)161(247)209-127(158(244)195-113(53-55-134(220)221)140(226)186-78-133(219)188-117)82-257-255-80-125(206-139(225)102(174)68-92-48-50-97(217)51-49-92)156(242)196-114(52-54-132(175)218)147(233)192-109(43-23-28-59-171)144(230)200-119(69-93-74-182-103-37-17-13-33-98(93)103)150(236)197-115(56-64-254-12)148(234)201-121(154(240)213-137(91(10)216)164(250)211-130)71-95-76-184-105-39-19-15-35-100(95)105/h13-20,33-40,48-51,74-77,86-91,102,107-131,136-137,182-185,215-217H,21-32,41-47,52-73,78-85,169-174H2,1-12H3,(H2,175,218)(H,186,226)(H,187,241)(H,188,219)(H,189,224)(H,190,227)(H,191,228)(H,192,233)(H,193,243)(H,194,245)(H,195,244)(H,196,242)(H,197,236)(H,198,229)(H,199,231)(H,200,230)(H,201,234)(H,202,235)(H,203,246)(H,204,248)(H,205,238)(H,206,225)(H,207,232)(H,208,237)(H,209,247)(H,210,249)(H,211,250)(H,212,239)(H,213,240)(H,220,221)(H,222,223)(H,252,253)(H4,176,177,180)(H4,178,179,181)/t90-,91+,102-,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-,136-,137-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50066059
PNG
(1,3-Bis-(4-sec-butyl-phenyl)-tetrahydro-pyrimidin-...)
Show SMILES CCC(C)c1ccc(cc1)N1CCCN(C1=N)c1ccc(cc1)C(C)CC
Show InChI InChI=1S/C24H33N3/c1-5-18(3)20-8-12-22(13-9-20)26-16-7-17-27(24(26)25)23-14-10-21(11-15-23)19(4)6-2/h8-15,18-19,25H,5-7,16-17H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Cambridge NeuroScience Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)


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


(Rattus norvegicus)
BDBM50066062
PNG
(1,3-Bis-(4-sec-butyl-phenyl)-imidazolidin-2-yliden...)
Show SMILES CCC(C)c1ccc(cc1)N1CCN(C1=N)c1ccc(cc1)C(C)CC
Show InChI InChI=1S/C23H31N3/c1-5-17(3)19-7-11-21(12-8-19)25-15-16-26(23(25)24)22-13-9-20(10-14-22)18(4)6-2/h7-14,17-18,24H,5-6,15-16H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Cambridge NeuroScience Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)


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


(Rattus norvegicus)
BDBM50051083
PNG
(CHEMBL3318142)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(C)C)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]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1/C161H238N44O38S7/c1-81(2)60-111-148(231)204-130(84(7)8)157(240)202-124-79-249-250-80-125-155(238)195-117(68-129(213)214)147(230)197-119(74-206)150(233)179-85(9)132(215)181-106(42-28-57-172-160(168)169)136(219)183-105(41-23-27-56-165)140(223)199-123(78-248-246-76-121(200-146(229)115(65-89-70-175-99-35-17-13-31-94(89)99)194-143(226)112(61-82(3)4)190-139(222)107(186-154(124)237)43-29-58-173-161(170)171)152(235)185-102(38-20-24-53-162)135(218)182-103(39-21-25-54-163)137(220)191-113(62-83(5)6)144(227)196-118(159(242)243)67-91-72-177-101-37-19-15-33-96(91)101)156(239)201-122(153(236)187-108(49-51-128(211)212)134(217)178-73-127(210)180-111)77-247-245-75-120(198-133(216)97(166)63-87-44-46-92(208)47-45-87)151(234)188-109(48-50-126(167)209)141(224)184-104(40-22-26-55-164)138(221)192-114(64-88-69-174-98-34-16-12-30-93(88)98)145(228)189-110(52-59-244-11)142(225)193-116(149(232)205-131(86(10)207)158(241)203-125)66-90-71-176-100-36-18-14-32-95(90)100/h12-19,30-37,44-47,69-72,81-86,97,102-125,130-131,174-177,206-208H,20-29,38-43,48-68,73-80,162-166H2,1-11H3,(H2,167,209)(H,178,217)(H,179,233)(H,180,210)(H,181,215)(H,182,218)(H,183,219)(H,184,224)(H,185,235)(H,186,237)(H,187,236)(H,188,234)(H,189,228)(H,190,222)(H,191,220)(H,192,221)(H,193,225)(H,194,226)(H,195,238)(H,196,227)(H,197,230)(H,198,216)(H,199,223)(H,200,229)(H,201,239)(H,202,240)(H,203,241)(H,204,231)(H,205,232)(H,211,212)(H,213,214)(H,242,243)(H4,168,169,172)(H4,170,171,173)/t85-,86+,97-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,130-,131-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50051080
PNG
(CHEMBL3318139)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(C)C)C(O)=O
Show InChI InChI=1/C161H249N45O39S7/c1-14-85(10)129(159(244)245)205-157(242)128(84(8)9)203-142(227)104(43-25-30-59-166)185-134(219)100(39-21-26-55-162)182-135(220)101(40-22-27-56-163)186-151(236)118-76-248-250-78-120-155(240)200-119-77-249-247-75-117(197-132(217)96(167)65-88-46-48-92(209)49-47-88)150(235)189-108(50-52-123(168)210)140(225)184-102(41-23-28-57-164)137(222)192-112(66-89-70-175-97-36-18-15-33-93(89)97)144(229)190-109(54-62-246-13)141(226)193-114(68-91-72-177-99-38-20-17-35-95(91)99)148(233)206-130(87(12)208)158(243)202-122(154(239)195-115(69-126(214)215)146(231)196-116(74-207)149(234)179-86(11)131(216)181-105(44-31-60-173-160(169)170)136(221)183-103(139(224)198-120)42-24-29-58-165)80-252-251-79-121(201-156(241)127(83(6)7)204-147(232)110(63-81(2)3)180-124(211)73-178-133(218)107(188-152(119)237)51-53-125(212)213)153(238)187-106(45-32-61-174-161(171)172)138(223)191-111(64-82(4)5)143(228)194-113(145(230)199-118)67-90-71-176-98-37-19-16-34-94(90)98/h15-20,33-38,46-49,70-72,81-87,96,100-122,127-130,175-177,207-209H,14,21-32,39-45,50-69,73-80,162-167H2,1-13H3,(H2,168,210)(H,178,218)(H,179,234)(H,180,211)(H,181,216)(H,182,220)(H,183,221)(H,184,225)(H,185,219)(H,186,236)(H,187,238)(H,188,237)(H,189,235)(H,190,229)(H,191,223)(H,192,222)(H,193,226)(H,194,228)(H,195,239)(H,196,231)(H,197,217)(H,198,224)(H,199,230)(H,200,240)(H,201,241)(H,202,243)(H,203,227)(H,204,232)(H,205,242)(H,206,233)(H,212,213)(H,214,215)(H,244,245)(H4,169,170,173)(H4,171,172,174)/t85-,86-,87+,96-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,127-,128-,129-,130-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50051073
PNG
(CHEMBL3318132)
Show SMILES CSCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CSSC[C@H](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)N2)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]c2ccccc12)C(O)=O
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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Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50066417
PNG
(CHEMBL112806 | N-(4-Benzyloxy-phenyl)-N'-(4-tert-b...)
Show SMILES CC(C)(C)c1ccc(NC(N)=Nc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H27N3O/c1-24(2,3)19-9-11-20(12-10-19)26-23(25)27-21-13-15-22(16-14-21)28-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H3,25,26,27)
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n/an/a 110n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


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


(Rattus norvegicus)
BDBM50066427
PNG
(CHEMBL109210 | N,N'-Bis-(4-butyl-phenyl)-guanidine)
Show SMILES CCCCc1ccc(NC(N)=Nc2ccc(CCCC)cc2)cc1
Show InChI InChI=1S/C21H29N3/c1-3-5-7-17-9-13-19(14-10-17)23-21(22)24-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3,(H3,22,23,24)
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Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


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


(Rattus norvegicus)
BDBM50051087
PNG
(CHEMBL3318146)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(O)=O
Show InChI InChI=1/C163H253N45O39S7/c1-15-87(10)131(161(246)247)206-157(242)125(66-85(6)7)208(13)160(245)111(44-26-31-60-168)192-138(223)103(41-23-28-57-165)184-136(221)102(40-22-27-56-164)187-152(237)120-78-250-252-80-122-156(241)202-121-79-251-249-77-119(199-134(219)98(169)67-90-47-49-94(211)50-48-90)151(236)190-109(51-53-126(170)212)142(227)186-104(42-24-29-58-166)139(224)194-114(68-91-72-177-99-37-19-16-34-95(91)99)145(230)191-110(55-63-248-14)143(228)195-116(70-93-74-179-101-39-21-18-36-97(93)101)149(234)207-132(89(12)210)159(244)204-124(155(240)197-117(71-129(216)217)147(232)198-118(76-209)150(235)181-88(11)133(218)183-106(45-32-61-175-162(171)172)137(222)185-105(141(226)200-122)43-25-30-59-167)82-254-253-81-123(203-158(243)130(86(8)9)205-148(233)112(64-83(2)3)182-127(213)75-180-135(220)108(189-153(121)238)52-54-128(214)215)154(239)188-107(46-33-62-176-163(173)174)140(225)193-113(65-84(4)5)144(229)196-115(146(231)201-120)69-92-73-178-100-38-20-17-35-96(92)100/h16-21,34-39,47-50,72-74,83-89,98,102-125,130-132,177-179,209-211H,15,22-33,40-46,51-71,75-82,164-169H2,1-14H3,(H2,170,212)(H,180,220)(H,181,235)(H,182,213)(H,183,218)(H,184,221)(H,185,222)(H,186,227)(H,187,237)(H,188,239)(H,189,238)(H,190,236)(H,191,230)(H,192,223)(H,193,225)(H,194,224)(H,195,228)(H,196,229)(H,197,240)(H,198,232)(H,199,219)(H,200,226)(H,201,231)(H,202,241)(H,203,243)(H,204,244)(H,205,233)(H,206,242)(H,207,234)(H,214,215)(H,216,217)(H,246,247)(H4,171,172,175)(H4,173,174,176)/t87-,88-,89+,98-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,130-,131-,132-/s2
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Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50066420
PNG
(CHEMBL112132 | N-(4-Benzyloxy-phenyl)-N'-(4-butyl-...)
Show SMILES CCCCc1ccc(NC(N)=Nc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H27N3O/c1-2-3-7-19-10-12-21(13-11-19)26-24(25)27-22-14-16-23(17-15-22)28-18-20-8-5-4-6-9-20/h4-6,8-17H,2-3,7,18H2,1H3,(H3,25,26,27)
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Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


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


(Rattus norvegicus)
BDBM50066423
PNG
(CHEMBL326502 | N,N'-Bis-(4-butoxy-phenyl)-guanidin...)
Show SMILES CCCCOc1ccc(NC(N)=Nc2ccc(OCCCC)cc2)cc1
Show InChI InChI=1S/C21H29N3O2/c1-3-5-15-25-19-11-7-17(8-12-19)23-21(22)24-18-9-13-20(14-10-18)26-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H3,22,23,24)
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Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


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


(Rattus norvegicus)
BDBM50066066
PNG
((S)-1-[4-(Benzothiazol-2-yl-methyl-amino)-piperidi...)
Show SMILES CN(C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C22H25F2N3O2S/c1-26(22-25-20-4-2-3-5-21(20)30-22)15-8-10-27(11-9-15)13-16(28)14-29-17-6-7-18(23)19(24)12-17/h2-7,12,15-16,28H,8-11,13-14H2,1H3/t16-/m0/s1
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Cambridge NeuroScience Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)


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


(Rattus norvegicus)
BDBM50019293
PNG
(1-(1-{3-[Bis-(4-fluoro-phenyl)-amino]-propyl}-pipe...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N4O/c28-20-6-10-22(11-7-20)32(23-12-8-21(29)9-13-23)17-3-16-31-18-14-24(15-19-31)33-26-5-2-1-4-25(26)30-27(33)34/h1-2,4-13,24H,3,14-19H2,(H,30,34)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


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


(Rattus norvegicus)
BDBM50051085
PNG
(CHEMBL3318144)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(O)=O
Show InChI InChI=1/C163H253N45O39S7/c1-15-87(10)130(159(245)246)207-160(247)163(13,71-85(6)7)208-156(242)108(44-26-31-60-168)189-136(222)102(40-22-27-56-164)184-135(221)103(41-23-28-57-165)187-151(237)120-78-250-252-80-122-155(241)202-121-79-251-249-77-119(199-133(219)98(169)66-90-47-49-94(211)50-48-90)150(236)191-110(51-53-125(170)212)141(227)186-104(42-24-29-58-166)138(224)194-114(67-91-72-177-99-37-19-16-34-95(91)99)144(230)192-111(55-63-248-14)142(228)195-116(69-93-74-179-101-39-21-18-36-97(93)101)148(234)206-131(89(12)210)158(244)204-124(154(240)197-117(70-128(216)217)146(232)198-118(76-209)149(235)181-88(11)132(218)183-106(45-32-61-175-161(171)172)137(223)185-105(140(226)200-122)43-25-30-59-167)82-254-253-81-123(203-157(243)129(86(8)9)205-147(233)112(64-83(2)3)182-126(213)75-180-134(220)109(190-152(121)238)52-54-127(214)215)153(239)188-107(46-33-62-176-162(173)174)139(225)193-113(65-84(4)5)143(229)196-115(145(231)201-120)68-92-73-178-100-38-20-17-35-96(92)100/h16-21,34-39,47-50,72-74,83-89,98,102-124,129-131,177-179,209-211H,15,22-33,40-46,51-71,75-82,164-169H2,1-14H3,(H2,170,212)(H,180,220)(H,181,235)(H,182,213)(H,183,218)(H,184,221)(H,185,223)(H,186,227)(H,187,237)(H,188,239)(H,189,222)(H,190,238)(H,191,236)(H,192,230)(H,193,225)(H,194,224)(H,195,228)(H,196,229)(H,197,240)(H,198,232)(H,199,219)(H,200,226)(H,201,231)(H,202,241)(H,203,243)(H,204,244)(H,205,233)(H,206,234)(H,207,247)(H,208,242)(H,214,215)(H,216,217)(H,245,246)(H4,171,172,175)(H4,173,174,176)/t87-,88-,89+,98-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,129-,130-,131-,163-/s2
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Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis


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


(Rattus norvegicus)
BDBM50017702
PNG
(1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...)
Show SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel t...


J Med Chem 37: 268-74 (1994)

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


(Rattus norvegicus)
BDBM50066425
PNG
(CHEMBL112515 | N,N'-Bis-(4-phenoxy-phenyl)-guanidi...)
Show SMILES NC(Nc1ccc(Oc2ccccc2)cc1)=Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H21N3O2/c26-25(27-19-11-15-23(16-12-19)29-21-7-3-1-4-8-21)28-20-13-17-24(18-14-20)30-22-9-5-2-6-10-22/h1-18H,(H3,26,27,28)
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Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


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


(Rattus norvegicus)
BDBM50066067
PNG
(2-(4-tert-Butyl-phenyl)-6-isopropyl-3,4-dihydro-2H...)
Show SMILES CC(C)c1ccc2N(C(CCc2c1)c1ccc(cc1)C(C)(C)C)C(N)=N
Show InChI InChI=1S/C23H31N3/c1-15(2)17-8-12-21-18(14-17)9-13-20(26(21)22(24)25)16-6-10-19(11-7-16)23(3,4)5/h6-8,10-12,14-15,20H,9,13H2,1-5H3,(H3,24,25)
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Cambridge NeuroScience Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)


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


(Rattus norvegicus)
BDBM50010754
PNG
(CHEMBL81626 | N,N'-Bis-(4-isopropyl-phenyl)-guanid...)
Show SMILES CC(C)c1ccc(NC(N)=Nc2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C19H25N3/c1-13(2)15-5-9-17(10-6-15)21-19(20)22-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)
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n/an/a 460n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


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


(Rattus norvegicus)
BDBM50017702
PNG
(1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...)
Show SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
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n/an/a 490n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


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


(Rattus norvegicus)
BDBM50051985
PNG
(CHEMBL288826 | N-[3-(4-Benzyl-piperidin-1-yl)-prop...)
Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c32-29(28(26-13-6-2-7-14-26)27-15-8-3-9-16-27)30-19-10-20-31-21-17-25(18-22-31)23-24-11-4-1-5-12-24/h1-9,11-16,25,28H,10,17-23H2,(H,30,32)
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n/an/a 600n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


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


(Rattus norvegicus)
BDBM50066069
PNG
(CHEMBL103284 | N-(4-tert-Butyl-benzyl)-N-(4-sec-bu...)
Show SMILES CCC(C)c1ccc(cc1)N(Cc1ccc(cc1)C(C)(C)C)C(N)=N
Show InChI InChI=1S/C22H31N3/c1-6-16(2)18-9-13-20(14-10-18)25(21(23)24)15-17-7-11-19(12-8-17)22(3,4)5/h7-14,16H,6,15H2,1-5H3,(H3,23,24)
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n/an/a 620n/an/an/an/an/an/a



Cambridge NeuroScience Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)


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


(Rattus norvegicus)
BDBM50066428
PNG
(CHEMBL326774 | N-Acenaphthen-5-yl-N'-(4-sec-butyl-...)
Show SMILES CCC(C)c1ccc(NC(N)=Nc2ccc3CCc4cccc2c34)cc1
Show InChI InChI=1S/C23H25N3/c1-3-15(2)16-9-12-19(13-10-16)25-23(24)26-21-14-11-18-8-7-17-5-4-6-20(21)22(17)18/h4-6,9-15H,3,7-8H2,1-2H3,(H3,24,25,26)
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n/an/a 680n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


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


(Rattus norvegicus)
BDBM50051984
PNG
(CHEMBL36637 | N-[3-(4-Benzyl-piperazin-1-yl)-propy...)
Show SMILES O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H33N3O/c32-28(27(25-13-6-2-7-14-25)26-15-8-3-9-16-26)29-17-10-18-30-19-21-31(22-20-30)23-24-11-4-1-5-12-24/h1-9,11-16,27H,10,17-23H2,(H,29,32)
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n/an/a 700n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


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


(Rattus norvegicus)
BDBM50051979
PNG
(CHEMBL35818 | N-{3-[4-(2-Oxo-2,3-dihydro-benzoimid...)
Show SMILES O=C(NCCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N4O2/c34-28(27(22-10-3-1-4-11-22)23-12-5-2-6-13-23)30-18-9-19-32-20-16-24(17-21-32)33-26-15-8-7-14-25(26)31-29(33)35/h1-8,10-15,24,27H,9,16-21H2,(H,30,34)(H,31,35)
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n/an/a 720n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells


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


(Rattus norvegicus)
BDBM50066052
PNG
((3-sec-Butyl-phenyl)-[1-(4-sec-butyl-phenyl)-imida...)
Show SMILES CCC(C)c1ccc(cc1)N1CCNC1=Nc1cccc(c1)C(C)CC
Show InChI InChI=1S/C23H31N3/c1-5-17(3)19-10-12-22(13-11-19)26-15-14-24-23(26)25-21-9-7-8-20(16-21)18(4)6-2/h7-13,16-18H,5-6,14-15H2,1-4H3,(H,24,25)
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n/an/a 780n/an/an/an/an/an/a



Cambridge NeuroScience Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)


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


(Rattus norvegicus)
BDBM50066057
PNG
(CHEMBL110909 | CHEMBL320199 | N,N'-Bis-(4-sec-buty...)
Show SMILES CCC(C)c1ccc(NC(N)=Nc2ccc(cc2)C(C)CC)cc1
Show InChI InChI=1S/C21H29N3/c1-5-15(3)17-7-11-19(12-8-17)23-21(22)24-20-13-9-18(10-14-20)16(4)6-2/h7-16H,5-6H2,1-4H3,(H3,22,23,24)
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n/an/a 800n/an/an/an/an/an/a



Cambridge NeuroScience Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)


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


(Rattus norvegicus)
BDBM50066057
PNG
(CHEMBL110909 | CHEMBL320199 | N,N'-Bis-(4-sec-buty...)
Show SMILES CCC(C)c1ccc(NC(N)=Nc2ccc(cc2)C(C)CC)cc1
Show InChI InChI=1S/C21H29N3/c1-5-15(3)17-7-11-19(12-8-17)23-21(22)24-20-13-9-18(10-14-20)16(4)6-2/h7-16H,5-6H2,1-4H3,(H3,22,23,24)
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n/an/a 800n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


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


(Rattus norvegicus)
BDBM50066419
PNG
(CHEMBL326741 | N,N'-Bis-(4-hexyl-phenyl)-guanidine)
Show SMILES CCCCCCc1ccc(NC(N)=Nc2ccc(CCCCCC)cc2)cc1
Show InChI InChI=1S/C25H37N3/c1-3-5-7-9-11-21-13-17-23(18-14-21)27-25(26)28-24-19-15-22(16-20-24)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3,(H3,26,27,28)
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n/an/a 830n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


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


(Rattus norvegicus)
BDBM50066424
PNG
(CHEMBL331126 | N,N'-Bis-(4-phenylsulfanyl-phenyl)-...)
Show SMILES NC(Nc1ccc(Sc2ccccc2)cc1)=Nc1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C25H21N3S2/c26-25(27-19-11-15-23(16-12-19)29-21-7-3-1-4-8-21)28-20-13-17-24(18-14-20)30-22-9-5-2-6-10-22/h1-18H,(H3,26,27,28)
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n/an/a 840n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


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


(Rattus norvegicus)
BDBM50066422
PNG
(CHEMBL326130 | N,N'-Bis-biphenyl-4-yl-guanidine)
Show SMILES NC(Nc1ccc(cc1)-c1ccccc1)=Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H21N3/c26-25(27-23-15-11-21(12-16-23)19-7-3-1-4-8-19)28-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H3,26,27,28)
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n/an/a 850n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


Citation and Details
More data for this
Ligand-Target Pair
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