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Compile Data Set for Download or QSAR

Found 68 hits for UniProtKB: Q62205   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50451447
PNG
(CHEMBL4217988)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK cells by patch clamp electrophysiology method


Bioorg Med Chem Lett 27: 4805-4811 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.056
BindingDB Entry DOI: 10.7270/Q25Q4ZN1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50451447
PNG
(CHEMBL4217988)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)
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n/an/a<0.100n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK293 cells by electrophysiology assay


J Med Chem 62: 8695-8710 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01906
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50169425
PNG
(CHEMBL3341983 | US9481677, 44)
Show SMILES Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-16(12(6-11)10-1-3-17-13(5-10)20(25)28-33-17)32-18-7-15(24)19(8-14(18)23)35(30,31)29-21-26-9-27-34-21/h1-9H,(H2,25,28)(H,26,27,29)
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n/an/a 0.200n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 channel in mouse CAD cells by whole-cell patch clamp assay


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


Article DOI: 10.1021/acsmedchemlett.5b00447
BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha/beta-1/beta-2


(Mus musculus)
BDBM50257179
PNG
(CHEMBL2325622)
Show SMILES CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H17ClF2N6O3S2/c1-29-9-13(10-29)30-17(4-5-26-30)14-6-12(22)2-3-18(14)33-19-7-16(24)20(8-15(19)23)35(31,32)28-21-25-11-27-34-21/h2-8,11,13H,9-10H2,1H3,(H,25,27,28)
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n/an/a 0.550n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00259
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50240277
PNG
(CHEMBL4061793)
Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22)
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 in mouse DRG neurons at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM145591
PNG
(US8952169, 389)
Show SMILES CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1
Show InChI InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)
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n/an/a 2.20n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK293 cells by electrophysiology assay


J Med Chem 62: 8695-8710 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01906
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50077471
PNG
(CHEMBL3416886)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=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)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)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](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)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)NC(=O)[C@@H]2CCCN2C1=O)C(C)C
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n/an/a 3.60n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 in C57BL/6 mouse DRG neurons held at voltage yielding 20% inactivation and depolarized to -10 mV for 40 ms every 10 s by whole-c...


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50240277
PNG
(CHEMBL4061793)
Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22)
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n/an/a 3.90n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50505258
PNG
(CHEMBL4588728)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2)NC(=O)[C@@H](N)CC(O)=O
Show InChI InChI=1S/C183H265N49O54S8/c1-93(2)69-120-151(255)198-85-139(238)203-132-86-289-292-89-135-178(282)212-116(54-56-140(239)240)160(264)205-112(42-22-27-63-187)158(262)222-129(79-144(247)248)169(273)211-117(55-57-141(241)242)161(265)223-131(81-146(251)252)171(275)229-137(179(283)230-136(177(281)209-113(43-23-28-64-188)157(261)221-127(167(271)216-120)76-103-83-194-92-200-103)90-293-291-88-134(226-150(254)107(189)77-142(243)244)176(280)210-115(45-30-66-196-183(192)193)159(263)218-122(73-100-46-50-104(235)51-47-100)164(268)214-119(59-68-288-7)163(267)217-121(70-97-31-11-8-12-32-97)152(256)199-84-138(237)202-128(78-143(245)246)168(272)228-135)91-294-290-87-133(227-165(269)123(74-101-48-52-105(236)53-49-101)219-156(260)111(41-21-26-62-186)206-162(266)118(58-67-287-6)213-154(258)109(39-19-24-60-184)204-155(259)114(44-29-65-195-182(190)191)207-153(257)110(208-175(132)279)40-20-25-61-185)174(278)201-94(3)149(253)215-126(75-102-82-197-108-38-18-17-37-106(102)108)166(270)224-130(80-145(249)250)170(274)220-124(71-98-33-13-9-14-34-98)172(276)231-147(95(4)233)180(284)225-125(72-99-35-15-10-16-36-99)173(277)232-148(96(5)234)181(285)286/h8-18,31-38,46-53,82-83,92-96,107,109-137,147-148,197,233-236H,19-30,39-45,54-81,84-91,184-189H2,1-7H3,(H,194,200)(H,198,255)(H,199,256)(H,201,278)(H,202,237)(H,203,238)(H,204,259)(H,205,264)(H,206,266)(H,207,257)(H,208,279)(H,209,281)(H,210,280)(H,211,273)(H,212,282)(H,213,258)(H,214,268)(H,215,253)(H,216,271)(H,217,267)(H,218,263)(H,219,260)(H,220,274)(H,221,261)(H,222,262)(H,223,265)(H,224,270)(H,225,284)(H,226,254)(H,227,269)(H,228,272)(H,229,275)(H,230,283)(H,231,276)(H,232,277)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,285,286)(H4,190,191,195)(H4,192,193,196)/t94-,95+,96+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,147-,148-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK293 cells by electrophysiology assay


J Med Chem 62: 8695-8710 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01906
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50465061
PNG
(CHEMBL4290933 | US10550080, Example 47)
Show SMILES Cn1cc(-c2ccc(cc2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C20H16F4N2O3S/c1-26-10-16(11-2-4-12(5-3-11)20(22,23)24)14-8-17(21)15(9-18(14)26)19(27)25-30(28,29)13-6-7-13/h2-5,8-10,13H,6-7H2,1H3,(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 in mouse DRG neurons at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM268527
PNG
(N-(6-cyclopropyl-7-((3,5-dichlorophenoxy)methyl)-[...)
Show SMILES CS(=O)(=O)Nc1nnc2cc(COc3cc(Cl)cc(Cl)c3)c(cn12)C1CC1
Show InChI InChI=1S/C17H16Cl2N4O3S/c1-27(24,25)22-17-21-20-16-4-11(15(8-23(16)17)10-2-3-10)9-26-14-6-12(18)5-13(19)7-14/h4-8,10H,2-3,9H2,1H3,(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of inactivated state of mouse NaV1.7 assessed as decrease in sodium current amplitude at -60 mV holding potential after 20 mins by Qube384...


J Med Chem 61: 4810-4831 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01826
BindingDB Entry DOI: 10.7270/Q2BV7K92
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50450581
PNG
(CHEMBL4159169)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O
Show InChI InChI=1S/C155H236BrN47O41S6/c1-12-15-32-93-133(225)192-107(60-82-65-173-90-34-19-17-31-86(82)90)144(236)203-123(80(11)205)152(244)201-115-74-250-247-70-111-146(238)185-96(37-22-25-53-159)134(226)190-104(58-76(6)7)140(232)193-106(61-83-66-174-91-43-41-84(156)62-87(83)91)142(234)199-113(147(239)186-98(39-27-55-170-154(165)166)132(224)181-94(35-20-23-51-157)131(223)188-102(46-50-120(212)213)138(230)202-122(124(162)216)77(8)14-3)72-248-245-69-110(196-126(218)79(10)176-129(221)97(38-26-54-169-153(163)164)179-125(217)78(9)177-145(237)109(68-204)195-143(235)108(63-121(214)215)194-150(115)242)151(243)200-114(148(240)187-100(45-49-119(210)211)128(220)175-67-117(207)178-103(57-75(4)5)139(231)184-99(136(228)198-111)40-28-56-171-155(167)168)73-249-246-71-112(197-130(222)92(29-13-2)180-127(219)88(160)42-48-118(208)209)149(241)189-101(44-47-116(161)206)137(229)182-95(36-21-24-52-158)135(227)191-105(141(233)183-93)59-81-64-172-89-33-18-16-30-85(81)89/h2,16-19,30-31,33-34,41,43,62,64-66,75-80,88,92-115,122-123,172-174,204-205H,12,14-15,20-29,32,35-40,42,44-61,63,67-74,157-160H2,1,3-11H3,(H2,161,206)(H2,162,216)(H,175,220)(H,176,221)(H,177,237)(H,178,207)(H,179,217)(H,180,219)(H,181,224)(H,182,229)(H,183,233)(H,184,231)(H,185,238)(H,186,239)(H,187,240)(H,188,223)(H,189,241)(H,190,226)(H,191,227)(H,192,225)(H,193,232)(H,194,242)(H,195,235)(H,196,218)(H,197,222)(H,198,228)(H,199,234)(H,200,243)(H,201,244)(H,202,230)(H,203,236)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,163,164,169)(H4,165,166,170)(H4,167,168,171)/t77-,78-,79-,80+,88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,122-,123-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 in C57/BL6 mouse DRG neurons assessed as reduction in TTX sensitive sodium channel-mediated currents by whole cell manual patch ...


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50450581
PNG
(CHEMBL4159169)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O
Show InChI InChI=1S/C155H236BrN47O41S6/c1-12-15-32-93-133(225)192-107(60-82-65-173-90-34-19-17-31-86(82)90)144(236)203-123(80(11)205)152(244)201-115-74-250-247-70-111-146(238)185-96(37-22-25-53-159)134(226)190-104(58-76(6)7)140(232)193-106(61-83-66-174-91-43-41-84(156)62-87(83)91)142(234)199-113(147(239)186-98(39-27-55-170-154(165)166)132(224)181-94(35-20-23-51-157)131(223)188-102(46-50-120(212)213)138(230)202-122(124(162)216)77(8)14-3)72-248-245-69-110(196-126(218)79(10)176-129(221)97(38-26-54-169-153(163)164)179-125(217)78(9)177-145(237)109(68-204)195-143(235)108(63-121(214)215)194-150(115)242)151(243)200-114(148(240)187-100(45-49-119(210)211)128(220)175-67-117(207)178-103(57-75(4)5)139(231)184-99(136(228)198-111)40-28-56-171-155(167)168)73-249-246-71-112(197-130(222)92(29-13-2)180-127(219)88(160)42-48-118(208)209)149(241)189-101(44-47-116(161)206)137(229)182-95(36-21-24-52-158)135(227)191-105(141(233)183-93)59-81-64-172-89-33-18-16-30-85(81)89/h2,16-19,30-31,33-34,41,43,62,64-66,75-80,88,92-115,122-123,172-174,204-205H,12,14-15,20-29,32,35-40,42,44-61,63,67-74,157-160H2,1,3-11H3,(H2,161,206)(H2,162,216)(H,175,220)(H,176,221)(H,177,237)(H,178,207)(H,179,217)(H,180,219)(H,181,224)(H,182,229)(H,183,233)(H,184,231)(H,185,238)(H,186,239)(H,187,240)(H,188,223)(H,189,241)(H,190,226)(H,191,227)(H,192,225)(H,193,232)(H,194,242)(H,195,235)(H,196,218)(H,197,222)(H,198,228)(H,199,234)(H,200,243)(H,201,244)(H,202,230)(H,203,236)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,163,164,169)(H4,165,166,170)(H4,167,168,171)/t77-,78-,79-,80+,88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,122-,123-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK293 cells after 10 mins by patchxpress-based electrophysiology


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50237517
PNG
(CHEMBL4078268 | US10836758, Example 20)
Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11+
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 in C57BL/6 mouse DRG neurons assessed as reduction in native TTX-S current amplitude by manual patch clamp electrophysiology ass...


J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
BindingDB Entry DOI: 10.7270/Q2057J69
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50077471
PNG
(CHEMBL3416886)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=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)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)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](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)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)NC(=O)[C@@H]2CCCN2C1=O)C(C)C
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n/an/a 6.30n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 in C57BL/6 mouse DRG neurons at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM268418
PNG
(N-(7-(adamantan-1-ylmethoxy)-6-ethyl-[1,2,4]triazo...)
Show SMILES O=S(=O)(Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1)C1CC1
Show InChI InChI=1S/C23H30N4O3S/c28-31(29,18-3-4-18)26-22-25-24-21-8-20(19(12-27(21)22)17-1-2-17)30-13-23-9-14-5-15(10-23)7-16(6-14)11-23/h8,12,14-18H,1-7,9-11,13H2,(H,25,26)
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n/an/a 7n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of inactivated state of mouse NaV1.7 assessed as decrease in sodium current amplitude at -60 mV holding potential after 20 mins by Qube384...


J Med Chem 61: 4810-4831 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01826
BindingDB Entry DOI: 10.7270/Q2BV7K92
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50237517
PNG
(CHEMBL4078268 | US10836758, Example 20)
Show SMILES N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11+
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n/an/a 7.5n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured af...


J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
BindingDB Entry DOI: 10.7270/Q2057J69
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50269118
PNG
(CHEMBL4100413)
Show SMILES FC(F)Oc1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C25H16F5N3O2/c26-24(27)35-20-10-4-12-32-22(20)15-5-1-6-16(13-15)23(34)33-19-9-2-8-18(25(28,29)30)21(19)17-7-3-11-31-14-17/h1-14,24H,(H,33,34)
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of slow inactivated mouse NaV1.7 expressed in HEK293 cells at -20 mV holding potential after 5 mins by IonWorks electrophysiology method


Bioorg Med Chem Lett 27: 3817-3824 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.054
BindingDB Entry DOI: 10.7270/Q2RB773S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


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



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 in C57/BL6 mouse DRG neurons assessed as reduction in TTX sensitive sodium channel-mediated currents by whole cell manual patch ...


J Med Chem 61: 9500-9512 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00736
BindingDB Entry DOI: 10.7270/Q20C4ZB0
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM429526
PNG
(3-(5-Chloro-6-isobutoxypyridin-3-yl)-N-(cyclopropy...)
Show SMILES CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(C(=O)NS(=O)(=O)C3CC3)c(F)cc12
Show InChI InChI=1S/C22H23ClFN3O4S/c1-12(2)11-31-22-18(23)6-13(9-25-22)17-10-27(3)20-8-16(19(24)7-15(17)20)21(28)26-32(29,30)14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,26,28)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50242510
PNG
(CHEMBL4095146)
Show SMILES C[C@H](c1ccccc1CN)n1c2cc(F)c(cc2oc1=O)S(=O)(=O)Nc1cccc(F)n1
Show InChI InChI=1S/C21H18F2N4O4S/c1-12(14-6-3-2-5-13(14)11-24)27-16-9-15(22)18(10-17(16)31-21(27)28)32(29,30)26-20-8-4-7-19(23)25-20/h2-10,12H,11,24H2,1H3,(H,25,26)/t12-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of 50% inactivated mouse Nav1.7alpha incubated for 5 mins measured at 10 secs interval by PatchXpress automated electrophysiology method


Bioorg Med Chem Lett 27: 2683-2688 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50465062
PNG
(CHEMBL4279180 | US10550080, Example 2)
Show SMILES CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C20H22ClN3O4S/c1-12(2)11-28-20-17(21)7-14(9-22-20)16-10-24(3)18-8-13(5-6-15(16)18)19(25)23-29(4,26)27/h5-10,12H,11H2,1-4H3,(H,23,25)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 in mouse DRG neurons at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50465058
PNG
(CHEMBL4280298 | US10550080, Example 39)
Show SMILES CC(C)COc1ncc(cc1Cl)-c1nn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C19H21ClN4O4S/c1-11(2)10-28-19-15(20)7-13(9-21-19)17-14-6-5-12(8-16(14)24(3)22-17)18(25)23-29(4,26)27/h5-9,11H,10H2,1-4H3,(H,23,25)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 in mouse DRG neurons at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50465060
PNG
(CHEMBL4276864 | US10550080, Example 49)
Show SMILES Cn1cc(-c2ccc(cc2)C(F)F)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C20H17F3N2O3S/c1-25-10-16(11-2-4-12(5-3-11)19(22)23)14-8-17(21)15(9-18(14)25)20(26)24-29(27,28)13-6-7-13/h2-5,8-10,13,19H,6-7H2,1H3,(H,24,26)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 in mouse DRG neurons at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50240278
PNG
(CHEMBL4062780)
Show SMILES CC1(C)CN2CCC[C@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1
Show InChI InChI=1S/C19H24ClFN4O2S2/c1-18(2)10-19(4-3-6-25(19)12-18)11-23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-5-7-28-17/h5,7-9,23H,3-4,6,10-12H2,1-2H3,(H,22,24)/t19-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Department of Discovery Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of 50% inactivated mouse Nav1.7 expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs interval...


Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM429527
PNG
(5-Fluoro-3-(6-isobutoxypyridin-3-yl)-1-methyl-N-(m...)
Show SMILES CC(C)COc1ccc(cn1)-c1cn(C)c2cc(C(=O)NS(C)(=O)=O)c(F)cc12
Show InChI InChI=1S/C20H22FN3O4S/c1-12(2)11-28-19-6-5-13(9-22-19)16-10-24(3)18-8-15(17(21)7-14(16)18)20(25)23-29(4,26)27/h5-10,12H,11H2,1-4H3,(H,23,25)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 in mouse DRG neurons at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50240277
PNG
(CHEMBL4061793)
Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22)
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n/an/a 15n/an/an/an/an/an/a



Department of Discovery Chemistry Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of 50% inactivated mouse Nav1.7 expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs interval...


Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM217483
PNG
(US9212182, 477 | US9212182, 478)
Show SMILES COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C25H16ClF2N3O5S/c1-35-23-12-19(15-8-16(26)11-17(27)9-15)20(28)13-22(23)31-21-4-3-18(10-14(21)2-5-25(31)32)37(33,34)30-24-6-7-36-29-24/h2-13H,1H3,(H,29,30)
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n/an/a 17n/an/an/an/an/an/a



SiteOne Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK293 cells by electrophysiology assay


J Med Chem 62: 8695-8710 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01906
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50077464
PNG
(CHEMBL3416893)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=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](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)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](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)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)NC(=O)[C@@H]2CCCN2C1=O)C(C)C
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n/an/a 23n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 in C57BL/6 mouse DRG neurons at -140 mV holding potential by whole-cell patch clamp assay


J Med Chem 58: 2299-314 (2015)


Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50465063
PNG
(CHEMBL4287506 | US10550080, Example 45)
Show SMILES CC(C)COc1ccc(cn1)-c1cn(C)c2cc(C(=O)NS(=O)(=O)C3CC3)c(F)cc12
Show InChI InChI=1S/C22H24FN3O4S/c1-13(2)12-30-21-7-4-14(10-24-21)18-11-26(3)20-9-17(19(23)8-16(18)20)22(27)25-31(28,29)15-5-6-15/h4,7-11,13,15H,5-6,12H2,1-3H3,(H,25,27)
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 in mouse DRG neurons at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50465061
PNG
(CHEMBL4290933 | US10550080, Example 47)
Show SMILES Cn1cc(-c2ccc(cc2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C20H16F4N2O3S/c1-26-10-16(11-2-4-12(5-3-11)20(22,23)24)14-8-17(21)15(9-18(14)26)19(27)25-30(28,29)13-6-7-13/h2-5,8-10,13H,6-7H2,1H3,(H,25,27)
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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM217696
PNG
(US9212182, 672)
Show SMILES COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H19F3N4O4S/c1-38-24-16-18(17-4-2-5-20(14-17)27(28,29)30)6-9-23(24)34-22-10-8-21(15-19(22)7-11-25(34)35)39(36,37)33-26-31-12-3-13-32-26/h2-16H,1H3,(H,31,32,33)
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Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK293 cells measured after 3 to 5 mins by patchXpress electrophysiology assay


J Med Chem 60: 5990-6017 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01850
BindingDB Entry DOI: 10.7270/Q2H1349F
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50242509
PNG
(CHEMBL4068937)
Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor


Bioorg Med Chem Lett 27: 2683-2688 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50237528
PNG
(CHEMBL4064193)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C19H26ClFN4O2S2/c1-18(2)10-12(11-19(3,4)25(18)5)23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-6-7-28-17/h6-9,12,23H,10-11H2,1-5H3,(H,22,24)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured af...


J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
BindingDB Entry DOI: 10.7270/Q2057J69
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


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



Lupin Ltd.

Curated by ChEMBL


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


J Med Chem 63: 6107-6133 (2020)


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


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



Lupin Ltd.

Curated by ChEMBL


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


J Med Chem 63: 6107-6133 (2020)


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


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



Lupin Ltd.

Curated by ChEMBL


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


J Med Chem 63: 6107-6133 (2020)


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


(Mus musculus)
BDBM50261077
PNG
(CHEMBL4072883)
Show SMILES Fc1cc(NC[C@H]2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-6-14(25(21,22)20-15-18-3-5-24-15)12(17)7-13(11)19-8-10-2-1-4-23-9-10/h3,5-7,10,19H,1-2,4,8-9H2,(H,18,20)/t10-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -50 mV holding potential by by automated patch clamp electrophysiology...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50465062
PNG
(CHEMBL4279180 | US10550080, Example 2)
Show SMILES CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C20H22ClN3O4S/c1-12(2)11-28-20-17(21)7-14(9-22-20)16-10-24(3)18-8-13(5-6-15(16)18)19(25)23-29(4,26)27/h5-10,12H,11H2,1-4H3,(H,23,25)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM342904
PNG
(1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphe...)
Show SMILES COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H17F4N3O4S/c1-36-23-14-20(15-3-2-4-17(11-15)26(28,29)30)22(27)13-21(23)25-19-6-5-18(12-16(19)7-9-31-25)38(34,35)33-24-8-10-37-32-24/h2-14H,1H3,(H,32,33)
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n/an/a 36n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK293 cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay


J Med Chem 60: 5969-5989 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01851
BindingDB Entry DOI: 10.7270/Q2RJ4MS7
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50465063
PNG
(CHEMBL4287506 | US10550080, Example 45)
Show SMILES CC(C)COc1ccc(cn1)-c1cn(C)c2cc(C(=O)NS(=O)(=O)C3CC3)c(F)cc12
Show InChI InChI=1S/C22H24FN3O4S/c1-13(2)12-30-21-7-4-14(10-24-21)18-11-26(3)20-9-17(19(23)8-16(18)20)22(27)25-31(28,29)15-5-6-15/h4,7-11,13,15H,5-6,12H2,1-3H3,(H,25,27)
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50237526
PNG
(CHEMBL4092078 | US10836758, Example 12)
Show SMILES Fc1cc(NCC2(CN3CCCC3)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C18H22ClFN4O2S2/c19-13-9-16(28(25,26)23-17-21-5-8-27-17)14(20)10-15(13)22-11-18(3-4-18)12-24-6-1-2-7-24/h5,8-10,22H,1-4,6-7,11-12H2,(H,21,23)
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n/an/a 51n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured af...


J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
BindingDB Entry DOI: 10.7270/Q2057J69
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50261077
PNG
(CHEMBL4072883)
Show SMILES Fc1cc(NC[C@H]2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-6-14(25(21,22)20-15-18-3-5-24-15)12(17)7-13(11)19-8-10-2-1-4-23-9-10/h3,5-7,10,19H,1-2,4,8-9H2,(H,18,20)/t10-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Nav1.7 inactivated state form expressed in HEK293 cells at -60 mV holding potential by manual patch clamp electrophys...


Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM231468
PNG
(US9346798, 215)
Show SMILES Fc1cc2N(CCOc2cc1S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O3S2/c20-13-8-15-16(9-17(13)32(28,29)26-18-25-3-6-31-18)30-5-4-27(15)14-2-1-12(19(21,22)23)7-11(14)10-24/h1-3,6-9H,4-5H2,(H,25,26)
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n/an/a 60n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7 by whole cell voltage clamp method


Bioorg Med Chem Lett 27: 3477-3485 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.070
BindingDB Entry DOI: 10.7270/Q2H134H4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50242509
PNG
(CHEMBL4068937)
Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 channel in mouse DRG neurons assessed as reduction of TTX-sensitive current by whole cell patch clamp assay


Bioorg Med Chem Lett 27: 2683-2688 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50545569
PNG
(CHEMBL4637997)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5O2S/c1-32-22(9-12-30-32)21-14-16(24(25,26)27)4-7-20(21)19-6-3-15-13-17(5-8-18(15)19)35(33,34)31-23-28-10-2-11-29-23/h2,4-5,7-14,19H,3,6H2,1H3,(H,28,29,31)/t19-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


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


J Med Chem 63: 6107-6133 (2020)


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


(Mus musculus)
BDBM50130532
PNG
(CHEMBL3632692)
Show SMILES OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C23H25F3N2O3/c24-23(25,26)17-5-7-20(8-6-17)31-15-19(29)14-27-11-9-18(10-12-27)28-13-16-3-1-2-4-21(16)22(28)30/h1-8,18-19,29H,9-15H2
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n/an/a 100n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay


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


Article DOI: 10.1016/j.bmcl.2015.09.005
BindingDB Entry DOI: 10.7270/Q2930W06
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM231465
PNG
(US9346798, 212)
Show SMILES FC(F)(F)c1ccc(N2CCOc3cc(c(Cl)cc23)S(=O)(=O)Nc2nccs2)c(c1)C#N
Show InChI InChI=1S/C19H12ClF3N4O3S2/c20-13-8-15-16(9-17(13)32(28,29)26-18-25-3-6-31-18)30-5-4-27(15)14-2-1-12(19(21,22)23)7-11(14)10-24/h1-3,6-9H,4-5H2,(H,25,26)
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n/an/a 100n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7 by whole cell voltage clamp method


Bioorg Med Chem Lett 27: 3477-3485 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.070
BindingDB Entry DOI: 10.7270/Q2H134H4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM429527
PNG
(5-Fluoro-3-(6-isobutoxypyridin-3-yl)-1-methyl-N-(m...)
Show SMILES CC(C)COc1ccc(cn1)-c1cn(C)c2cc(C(=O)NS(C)(=O)=O)c(F)cc12
Show InChI InChI=1S/C20H22FN3O4S/c1-12(2)11-28-19-6-5-13(9-22-19)16-10-24(3)18-8-15(17(21)7-14(16)18)20(25)23-29(4,26)27/h5-10,12H,11H2,1-4H3,(H,23,25)
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n/an/a 115n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells at -70 mV holding potential by patch clamp electrophysiology method


J Med Chem 62: 831-856 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01550
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK293 cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
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