Found 572 hits Enz. Inhib. hit(s) with all data for entry = 50047384 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164005
(CHEMBL3798860)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H271N51O45S7/c1-13-93(10)140-174(272)227-64-35-50-131(227)169(267)213-122(77-137(238)239)158(256)210-119(74-132(183)231)155(253)211-121(76-136(236)237)157(255)200-107(45-25-30-59-180)149(247)217-127-85-277-275-83-125(162(260)202-105(43-23-28-57-178)146(244)208-116(70-97-51-53-100(230)54-52-97)160(258)223-138(91(6)7)170(268)205-112(142(185)240)68-95-36-16-14-17-37-95)219-153(251)117(71-98-78-193-103-41-21-20-40-101(98)103)209-147(245)104(42-22-27-56-177)199-154(252)118(72-99-79-190-88-195-99)214-172(270)141(94(11)229)225-151(249)109(48-33-62-192-176(188)189)201-161(259)123(81-228)215-165(263)128-86-278-279-87-129(167(265)224-140)218-148(246)106(44-24-29-58-179)197-145(243)108(47-32-61-191-175(186)187)198-150(248)110(55-65-273-12)203-152(250)115(69-96-38-18-15-19-39-96)196-134(233)80-194-144(242)113(66-89(2)3)206-164(262)124(216-143(241)102(182)73-135(234)235)82-274-276-84-126(220-166(127)264)163(261)204-111(46-26-31-60-181)173(271)226-63-34-49-130(226)168(266)212-120(75-133(184)232)156(254)207-114(67-90(4)5)159(257)222-139(92(8)9)171(269)221-128/h14-21,36-41,51-54,78-79,88-94,102,104-131,138-141,193,228-230H,13,22-35,42-50,55-77,80-87,177-182H2,1-12H3,(H2,183,231)(H2,184,232)(H2,185,240)(H,190,195)(H,194,242)(H,196,233)(H,197,243)(H,198,248)(H,199,252)(H,200,255)(H,201,259)(H,202,260)(H,203,250)(H,204,261)(H,205,268)(H,206,262)(H,207,254)(H,208,244)(H,209,245)(H,210,256)(H,211,253)(H,212,266)(H,213,267)(H,214,270)(H,215,263)(H,216,241)(H,217,247)(H,218,246)(H,219,251)(H,220,264)(H,221,269)(H,222,257)(H,223,258)(H,224,265)(H,225,249)(H,234,235)(H,236,237)(H,238,239)(H4,186,187,191)(H4,188,189,192)/t93-,94+,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,138-,139-,140-,141-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164284
(CHEMBL3799543)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CC(N)=O)NC3=O)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C174H266N54O46S7/c1-86(2)62-109-141(244)195-77-132(235)197-111(65-92-34-15-12-16-35-92)149(252)204-106(51-61-275-10)147(250)199-104(42-27-56-191-172(184)185)142(245)198-102(40-21-25-54-177)145(248)219-124-82-279-281-84-126-163(266)217-120(78-229)158(261)202-105(43-28-57-192-173(186)187)148(251)226-138(90(9)230)169(272)215-114(68-95-76-190-85-196-95)151(254)200-100(38-19-23-52-175)144(247)210-113(67-94-75-194-99-37-18-17-36-97(94)99)150(253)221-122(159(262)203-101(39-20-24-53-176)143(246)209-112(66-93-47-49-96(231)50-48-93)157(260)225-136(88(5)6)167(270)206-108(139(183)242)64-91-32-13-11-14-33-91)80-277-280-83-125(220-146(249)103(41-22-26-55-178)201-154(257)117(73-134(238)239)212-152(255)115(70-129(180)232)211-155(258)118(74-135(240)241)214-166(269)128-46-31-60-228(128)171(274)119(72-131(182)234)216-162(124)265)164(267)222-123(81-278-276-79-121(161(264)207-109)218-140(243)98(179)69-133(236)237)160(263)205-107(44-29-58-193-174(188)189)170(273)227-59-30-45-127(227)165(268)213-116(71-130(181)233)153(256)208-110(63-87(3)4)156(259)224-137(89(7)8)168(271)223-126/h11-18,32-37,47-50,75-76,85-90,98,100-128,136-138,194,229-231H,19-31,38-46,51-74,77-84,175-179H2,1-10H3,(H2,180,232)(H2,181,233)(H2,182,234)(H2,183,242)(H,190,196)(H,195,244)(H,197,235)(H,198,245)(H,199,250)(H,200,254)(H,201,257)(H,202,261)(H,203,262)(H,204,252)(H,205,263)(H,206,270)(H,207,264)(H,208,256)(H,209,246)(H,210,247)(H,211,258)(H,212,255)(H,213,268)(H,214,269)(H,215,272)(H,216,265)(H,217,266)(H,218,243)(H,219,248)(H,220,249)(H,221,253)(H,222,267)(H,223,271)(H,224,259)(H,225,260)(H,226,251)(H,236,237)(H,238,239)(H,240,241)(H4,184,185,191)(H4,186,187,192)(H4,188,189,193)/t90-,98+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,136+,137+,138+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164352
(CHEMBL3799645)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=O)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H270N52O46S7/c1-13-92(10)139-173(273)228-63-34-49-130(228)168(268)214-121(76-136(239)240)157(257)211-118(73-131(182)232)154(254)212-120(75-135(237)238)156(256)201-106(44-25-29-58-180)148(248)218-126-84-279-277-82-124(161(261)203-104(42-23-27-56-178)145(245)209-115(69-96-50-52-99(231)53-51-96)159(259)224-137(90(6)7)169(269)206-111(141(184)241)67-94-35-16-14-17-36-94)220-152(252)116(70-97-77-194-102-40-21-20-39-100(97)102)210-146(246)103(41-22-26-55-177)200-153(253)117(71-98-78-190-87-196-98)215-171(271)140(93(11)230)226-150(250)108(46-31-60-192-175(187)188)202-160(260)122(80-229)216-164(264)127-85-280-281-86-128(166(266)225-139)219-147(247)105(43-24-28-57-179)198-144(244)107(45-30-59-191-174(185)186)199-149(249)109(54-64-275-12)204-151(251)114(68-95-37-18-15-19-38-95)197-133(234)79-195-143(243)112(65-88(2)3)207-163(263)123(217-142(242)101(181)72-134(235)236)81-276-278-83-125(221-165(126)265)162(262)205-110(47-32-61-193-176(189)274)172(272)227-62-33-48-129(227)167(267)213-119(74-132(183)233)155(255)208-113(66-89(4)5)158(258)223-138(91(8)9)170(270)222-127/h14-21,35-40,50-53,77-78,87-93,101,103-130,137-140,194,229-231H,13,22-34,41-49,54-76,79-86,177-181H2,1-12H3,(H2,182,232)(H2,183,233)(H2,184,241)(H,190,196)(H,195,243)(H,197,234)(H,198,244)(H,199,249)(H,200,253)(H,201,256)(H,202,260)(H,203,261)(H,204,251)(H,205,262)(H,206,269)(H,207,263)(H,208,255)(H,209,245)(H,210,246)(H,211,257)(H,212,254)(H,213,267)(H,214,268)(H,215,271)(H,216,264)(H,217,242)(H,218,248)(H,219,247)(H,220,252)(H,221,265)(H,222,270)(H,223,258)(H,224,259)(H,225,266)(H,226,250)(H,235,236)(H,237,238)(H,239,240)(H4,185,186,191)(H4,187,188,192)(H3,189,193,274)/t92-,93+,101-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,137-,138-,139-,140-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50163886
(CHEMBL3800588)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2cccc4ccccc24)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C185H276N52O44S7/c1-13-99(10)148-182(281)237-70-37-56-140(237)177(276)223-131(83-145(247)248)166(265)220-126(77-105-44-32-43-104-42-20-21-45-109(104)105)161(260)221-130(82-144(245)246)165(264)210-116(51-27-31-65-189)157(256)227-136-91-286-284-89-134(170(269)212-114(49-25-29-63-187)154(253)218-125(76-103-57-59-108(240)60-58-103)168(267)233-146(97(6)7)178(277)215-121(150(192)249)74-101-38-16-14-17-39-101)229-162(261)127(78-106-84-203-112-47-23-22-46-110(106)112)219-155(254)113(48-24-28-62-186)209-163(262)128(79-107-85-199-94-205-107)224-180(279)149(100(11)239)235-159(258)118(53-34-67-201-184(195)196)211-169(268)132(87-238)225-173(272)137-92-287-288-93-138(175(274)234-148)228-156(255)115(50-26-30-64-188)207-153(252)117(52-33-66-200-183(193)194)208-158(257)119(61-71-282-12)213-160(259)124(75-102-40-18-15-19-41-102)206-142(242)86-204-152(251)122(72-95(2)3)216-172(271)133(226-151(250)111(190)80-143(243)244)88-283-285-90-135(230-174(136)273)171(270)214-120(54-35-68-202-185(197)198)181(280)236-69-36-55-139(236)176(275)222-129(81-141(191)241)164(263)217-123(73-96(4)5)167(266)232-147(98(8)9)179(278)231-137/h14-23,32,38-47,57-60,84-85,94-100,111,113-140,146-149,203,238-240H,13,24-31,33-37,48-56,61-83,86-93,186-190H2,1-12H3,(H2,191,241)(H2,192,249)(H,199,205)(H,204,251)(H,206,242)(H,207,252)(H,208,257)(H,209,262)(H,210,264)(H,211,268)(H,212,269)(H,213,259)(H,214,270)(H,215,277)(H,216,271)(H,217,263)(H,218,253)(H,219,254)(H,220,265)(H,221,260)(H,222,275)(H,223,276)(H,224,279)(H,225,272)(H,226,250)(H,227,256)(H,228,255)(H,229,261)(H,230,273)(H,231,278)(H,232,266)(H,233,267)(H,234,274)(H,235,258)(H,243,244)(H,245,246)(H,247,248)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t99-,100+,111-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,146-,147-,148-,149-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164103
(CHEMBL3799757)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C175H267N53O47S7/c1-87(2)64-111-142(245)195-78-132(234)197-113(67-93-34-15-12-16-35-93)150(253)204-107(53-63-276-10)148(251)199-105(42-27-58-191-173(184)185)143(246)198-103(40-21-25-56-178)146(249)219-124-82-279-282-85-127-164(267)217-121(79-229)159(262)202-106(43-28-59-192-174(186)187)149(252)226-139(91(9)230)170(273)216-116(70-96-77-190-86-196-96)152(255)200-101(38-19-23-54-176)145(248)211-115(69-95-76-194-100-37-18-17-36-98(95)100)151(254)221-123(160(263)203-102(39-20-24-55-177)144(247)210-114(68-94-47-49-97(231)50-48-94)158(261)225-137(89(5)6)168(271)207-110(140(183)243)66-92-32-13-11-14-33-92)81-278-281-84-126(220-147(250)104(41-22-26-57-179)201-155(258)119(74-135(239)240)213-153(256)117(72-130(181)232)212-156(259)120(75-136(241)242)215-167(270)129-46-31-62-228(129)172(275)109(206-162(124)265)51-52-133(235)236)165(268)222-125(83-280-277-80-122(163(266)208-111)218-141(244)99(180)71-134(237)238)161(264)205-108(44-29-60-193-175(188)189)171(274)227-61-30-45-128(227)166(269)214-118(73-131(182)233)154(257)209-112(65-88(3)4)157(260)224-138(90(7)8)169(272)223-127/h11-18,32-37,47-50,76-77,86-91,99,101-129,137-139,194,229-231H,19-31,38-46,51-75,78-85,176-180H2,1-10H3,(H2,181,232)(H2,182,233)(H2,183,243)(H,190,196)(H,195,245)(H,197,234)(H,198,246)(H,199,251)(H,200,255)(H,201,258)(H,202,262)(H,203,263)(H,204,253)(H,205,264)(H,206,265)(H,207,271)(H,208,266)(H,209,257)(H,210,247)(H,211,248)(H,212,259)(H,213,256)(H,214,269)(H,215,270)(H,216,273)(H,217,267)(H,218,244)(H,219,249)(H,220,250)(H,221,254)(H,222,268)(H,223,272)(H,224,260)(H,225,261)(H,226,252)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H4,184,185,191)(H4,186,187,192)(H4,188,189,193)/t91-,99+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,137+,138+,139+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50163938
(CHEMBL3800494)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC2=O)C(C)C)[C@@H](C)CC |r| Show InChI InChI=1S/C177H276N54O45S7/c1-13-93(10)140-174(276)231-64-35-50-131(231)170(272)218-123(77-137(242)243)160(262)216-121(75-133(185)236)158(260)217-122(76-136(240)241)159(261)205-108(46-26-31-60-182)151(253)222-128-85-281-279-83-126(164(266)207-106(44-24-29-58-180)147(249)213-117(70-97-51-53-100(234)54-52-97)162(264)228-138(91(6)7)171(273)210-113(142(186)244)68-95-36-16-14-17-37-95)224-155(257)118(71-98-78-197-103-41-21-20-40-101(98)103)214-148(250)105(43-23-28-57-179)204-156(258)119(72-99-79-193-88-199-99)219-173(275)141(94(11)233)230-153(255)111(49-34-63-196-177(191)192)206-163(265)124(81-232)220-167(269)129-86-282-283-87-130(169(271)229-140)223-150(252)107(45-25-30-59-181)202-145(247)109(47-32-61-194-175(187)188)203-152(254)112(55-65-277-12)209-154(256)116(69-96-38-18-15-19-39-96)200-134(237)80-198-144(246)114(66-89(2)3)211-166(268)125(221-143(245)102(183)73-135(238)239)82-278-280-84-127(225-168(128)270)165(267)208-110(48-33-62-195-176(189)190)146(248)201-104(42-22-27-56-178)149(251)215-120(74-132(184)235)157(259)212-115(67-90(4)5)161(263)227-139(92(8)9)172(274)226-129/h14-21,36-41,51-54,78-79,88-94,102,104-131,138-141,197,232-234H,13,22-35,42-50,55-77,80-87,178-183H2,1-12H3,(H2,184,235)(H2,185,236)(H2,186,244)(H,193,199)(H,198,246)(H,200,237)(H,201,248)(H,202,247)(H,203,254)(H,204,258)(H,205,261)(H,206,265)(H,207,266)(H,208,267)(H,209,256)(H,210,273)(H,211,268)(H,212,259)(H,213,249)(H,214,250)(H,215,251)(H,216,262)(H,217,260)(H,218,272)(H,219,275)(H,220,269)(H,221,245)(H,222,253)(H,223,252)(H,224,257)(H,225,270)(H,226,274)(H,227,263)(H,228,264)(H,229,271)(H,230,255)(H,238,239)(H,240,241)(H,242,243)(H4,187,188,194)(H4,189,190,195)(H4,191,192,196)/t93-,94+,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,138-,139-,140-,141-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164105
(CHEMBL3799602)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H271N53O47S7/c1-13-91(10)139-171(274)206-108(52-53-133(236)237)149(252)214-121(75-136(242)243)158(261)213-118(72-130(182)233)155(258)215-120(74-135(240)241)157(260)202-105(43-25-29-58-180)148(251)220-126-83-281-279-81-124(162(265)204-103(41-23-27-56-178)145(248)211-115(68-95-48-50-98(232)51-49-95)160(263)226-137(89(6)7)169(272)208-111(141(184)244)66-93-34-16-14-17-35-93)222-153(256)116(69-96-76-195-101-39-21-20-38-99(96)101)212-146(249)102(40-22-26-55-177)201-154(257)117(70-97-77-191-86-197-97)217-172(275)140(92(11)231)228-151(254)107(45-31-60-193-175(187)188)203-161(264)122(79-230)218-165(268)127-84-282-283-85-128(167(270)227-139)221-147(250)104(42-24-28-57-179)199-144(247)106(44-30-59-192-174(185)186)200-150(253)109(54-63-277-12)205-152(255)114(67-94-36-18-15-19-37-94)198-132(235)78-196-143(246)112(64-87(2)3)209-164(267)123(219-142(245)100(181)71-134(238)239)80-278-280-82-125(223-166(126)269)163(266)207-110(46-32-61-194-176(189)190)173(276)229-62-33-47-129(229)168(271)216-119(73-131(183)234)156(259)210-113(65-88(4)5)159(262)225-138(90(8)9)170(273)224-127/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,195,230-232H,13,22-33,40-47,52-75,78-85,177-181H2,1-12H3,(H2,182,233)(H2,183,234)(H2,184,244)(H,191,197)(H,196,246)(H,198,235)(H,199,247)(H,200,253)(H,201,257)(H,202,260)(H,203,264)(H,204,265)(H,205,255)(H,206,274)(H,207,266)(H,208,272)(H,209,267)(H,210,259)(H,211,248)(H,212,249)(H,213,261)(H,214,252)(H,215,258)(H,216,271)(H,217,275)(H,218,268)(H,219,245)(H,220,251)(H,221,250)(H,222,256)(H,223,269)(H,224,273)(H,225,262)(H,226,263)(H,227,270)(H,228,254)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164278
(CHEMBL3799550)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C180H280N56O45S7/c1-13-94(10)141-176(281)236-66-35-51-133(236)171(276)222-124(79-138(246)247)160(265)219-121(76-134(186)240)157(262)220-123(78-137(244)245)159(264)207-108(45-25-29-60-184)150(255)226-129-86-286-284-84-127(164(269)210-106(43-23-27-58-182)146(251)217-118(72-98-52-54-101(239)55-53-98)162(267)232-139(92(6)7)172(277)213-114(143(188)248)70-96-36-16-14-17-37-96)228-155(260)119(73-99-80-202-104-41-21-20-40-102(99)104)218-147(252)105(42-22-26-57-181)206-156(261)120(74-100-81-197-89-203-100)223-174(279)142(95(11)238)234-152(257)111(48-32-63-200-179(193)194)209-163(268)125(82-237)224-167(272)130-87-287-288-88-131(169(274)233-141)227-149(254)107(44-24-28-59-183)204-145(250)109(46-30-61-198-177(189)190)205-151(256)112(56-67-282-12)211-154(259)117(71-97-38-18-15-19-39-97)216-148(253)110(47-31-62-199-178(191)192)208-153(258)115(68-90(2)3)215-166(271)126(225-144(249)103(185)75-136(242)243)83-283-285-85-128(229-168(129)273)165(270)212-113(49-33-64-201-180(195)196)175(280)235-65-34-50-132(235)170(275)221-122(77-135(187)241)158(263)214-116(69-91(4)5)161(266)231-140(93(8)9)173(278)230-130/h14-21,36-41,52-55,80-81,89-95,103,105-133,139-142,202,237-239H,13,22-35,42-51,56-79,82-88,181-185H2,1-12H3,(H2,186,240)(H2,187,241)(H2,188,248)(H,197,203)(H,204,250)(H,205,256)(H,206,261)(H,207,264)(H,208,258)(H,209,268)(H,210,269)(H,211,259)(H,212,270)(H,213,277)(H,214,263)(H,215,271)(H,216,253)(H,217,251)(H,218,252)(H,219,265)(H,220,262)(H,221,275)(H,222,276)(H,223,279)(H,224,272)(H,225,249)(H,226,255)(H,227,254)(H,228,260)(H,229,273)(H,230,278)(H,231,266)(H,232,267)(H,233,274)(H,234,257)(H,242,243)(H,244,245)(H,246,247)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)/t94-,95+,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,139-,140-,141-,142-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164184
(CHEMBL3798824)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C180H273N53O44S7/c1-13-95(10)143-177(277)233-66-37-56-134(233)172(272)219-125(79-140(243)244)161(261)216-122(76-135(186)236)158(258)217-124(78-139(241)242)160(260)206-110(51-27-31-61-184)152(252)223-130-87-282-280-85-128(165(265)208-108(49-25-29-59-182)150(250)214-119(72-100-44-32-43-99-42-20-21-45-103(99)100)163(263)229-141(93(6)7)173(273)211-115(145(188)245)70-97-38-16-14-17-39-97)225-156(256)120(73-101-80-199-106-47-23-22-46-104(101)106)215-149(249)107(48-24-28-58-181)205-157(257)121(74-102-81-195-90-201-102)220-175(275)144(96(11)235)231-154(254)112(53-34-63-197-179(191)192)207-164(264)126(83-234)221-168(268)131-88-283-284-89-132(170(270)230-143)224-151(251)109(50-26-30-60-183)203-148(248)111(52-33-62-196-178(189)190)204-153(253)113(57-67-278-12)209-155(255)118(71-98-40-18-15-19-41-98)202-137(238)82-200-147(247)116(68-91(2)3)212-167(267)127(222-146(246)105(185)75-138(239)240)84-279-281-86-129(226-169(130)269)166(266)210-114(54-35-64-198-180(193)194)176(276)232-65-36-55-133(232)171(271)218-123(77-136(187)237)159(259)213-117(69-92(4)5)162(262)228-142(94(8)9)174(274)227-131/h14-23,32,38-47,80-81,90-96,105,107-134,141-144,199,234-235H,13,24-31,33-37,48-79,82-89,181-185H2,1-12H3,(H2,186,236)(H2,187,237)(H2,188,245)(H,195,201)(H,200,247)(H,202,238)(H,203,248)(H,204,253)(H,205,257)(H,206,260)(H,207,264)(H,208,265)(H,209,255)(H,210,266)(H,211,273)(H,212,267)(H,213,259)(H,214,250)(H,215,249)(H,216,261)(H,217,258)(H,218,271)(H,219,272)(H,220,275)(H,221,268)(H,222,246)(H,223,252)(H,224,251)(H,225,256)(H,226,269)(H,227,274)(H,228,262)(H,229,263)(H,230,270)(H,231,254)(H,239,240)(H,241,242)(H,243,244)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t95-,96+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,141-,142-,143-,144-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164281
(CHEMBL3799545)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CC(O)=O)NC3=O)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C174H265N53O47S7/c1-86(2)62-109-141(244)194-77-131(233)196-111(65-92-34-15-12-16-35-92)149(252)203-106(51-61-275-10)147(250)198-104(42-27-56-190-172(183)184)142(245)197-102(40-21-25-54-177)145(248)218-124-82-279-281-84-126-163(266)216-120(78-228)158(261)201-105(43-28-57-191-173(185)186)148(251)225-138(90(9)229)169(272)214-114(68-95-76-189-85-195-95)151(254)199-100(38-19-23-52-175)144(247)209-113(67-94-75-193-99-37-18-17-36-97(94)99)150(253)220-122(159(262)202-101(39-20-24-53-176)143(246)208-112(66-93-47-49-96(230)50-48-93)157(260)224-136(88(5)6)167(270)205-108(139(182)242)64-91-32-13-11-14-33-91)80-277-280-83-125(219-146(249)103(41-22-26-55-178)200-154(257)117(72-133(236)237)211-152(255)115(70-129(180)231)210-155(258)118(73-134(238)239)213-166(269)128-46-31-60-227(128)171(274)119(74-135(240)241)215-162(124)265)164(267)221-123(81-278-276-79-121(161(264)206-109)217-140(243)98(179)69-132(234)235)160(263)204-107(44-29-58-192-174(187)188)170(273)226-59-30-45-127(226)165(268)212-116(71-130(181)232)153(256)207-110(63-87(3)4)156(259)223-137(89(7)8)168(271)222-126/h11-18,32-37,47-50,75-76,85-90,98,100-128,136-138,193,228-230H,19-31,38-46,51-74,77-84,175-179H2,1-10H3,(H2,180,231)(H2,181,232)(H2,182,242)(H,189,195)(H,194,244)(H,196,233)(H,197,245)(H,198,250)(H,199,254)(H,200,257)(H,201,261)(H,202,262)(H,203,252)(H,204,263)(H,205,270)(H,206,264)(H,207,256)(H,208,246)(H,209,247)(H,210,258)(H,211,255)(H,212,268)(H,213,269)(H,214,272)(H,215,265)(H,216,266)(H,217,243)(H,218,248)(H,219,249)(H,220,253)(H,221,267)(H,222,271)(H,223,259)(H,224,260)(H,225,251)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,183,184,190)(H4,185,186,191)(H4,187,188,192)/t90-,98+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,136+,137+,138+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50163915
(CHEMBL3798460)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C175H267N53O46S7/c1-13-90(10)138-172(274)228-61-32-46-128(228)167(269)214-119(74-135(240)241)156(258)211-116(71-130(181)233)153(255)212-118(73-134(238)239)155(257)200-103(41-24-27-56-178)146(248)218-124-82-279-277-80-122(160(262)202-101(39-22-25-54-176)144(246)209-113(67-94-47-49-97(231)50-48-94)158(260)224-136(88(6)7)168(270)206-109(140(183)242)65-92-33-16-14-17-34-92)220-151(253)114(68-95-75-194-100-38-21-20-37-98(95)100)210-147(249)106(51-52-129(180)232)203-152(254)115(69-96-76-190-85-196-96)215-170(272)139(91(11)230)226-149(251)105(43-29-58-192-174(186)187)201-159(261)120(78-229)216-163(265)125-83-280-281-84-126(165(267)225-138)219-145(247)102(40-23-26-55-177)198-143(245)104(42-28-57-191-173(184)185)199-148(250)107(53-62-275-12)204-150(252)112(66-93-35-18-15-19-36-93)197-132(235)77-195-142(244)110(63-86(2)3)207-162(264)121(217-141(243)99(179)70-133(236)237)79-276-278-81-123(221-164(124)266)161(263)205-108(44-30-59-193-175(188)189)171(273)227-60-31-45-127(227)166(268)213-117(72-131(182)234)154(256)208-111(64-87(4)5)157(259)223-137(89(8)9)169(271)222-125/h14-21,33-38,47-50,75-76,85-91,99,101-128,136-139,194,229-231H,13,22-32,39-46,51-74,77-84,176-179H2,1-12H3,(H2,180,232)(H2,181,233)(H2,182,234)(H2,183,242)(H,190,196)(H,195,244)(H,197,235)(H,198,245)(H,199,250)(H,200,257)(H,201,261)(H,202,262)(H,203,254)(H,204,252)(H,205,263)(H,206,270)(H,207,264)(H,208,256)(H,209,246)(H,210,249)(H,211,258)(H,212,255)(H,213,268)(H,214,269)(H,215,272)(H,216,265)(H,217,243)(H,218,248)(H,219,247)(H,220,253)(H,221,266)(H,222,271)(H,223,259)(H,224,260)(H,225,267)(H,226,251)(H,236,237)(H,238,239)(H,240,241)(H4,184,185,191)(H4,186,187,192)(H4,188,189,193)/t90-,91+,99-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,136-,137-,138-,139-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077787
(CHEMBL3416937)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C184H273N53O45S6/c1-12-97(10)147-181(282)237-68-36-55-138(237)176(277)223-129(81-144(248)249)165(266)220-126(78-139(190)241)162(263)221-128(80-143(246)247)164(265)209-114(50-26-30-63-188)156(257)227-134-89-286-284-87-132(169(270)212-112(48-24-28-61-186)153(254)217-122(73-101-56-58-106(240)59-57-101)167(268)233-145(95(6)7)177(278)214-118(149(192)250)71-99-37-15-13-16-38-99)229-160(261)124(75-104-82-203-110-46-22-21-45-108(104)110)218-154(255)111(47-23-27-60-185)208-161(262)125(76-105-83-199-92-205-105)224-179(280)148(98(11)239)235-157(258)116(52-33-65-201-183(195)196)211-168(269)130(85-238)225-172(273)135-90-287-288-91-136(174(275)234-147)228-155(256)113(49-25-29-62-187)207-152(253)115(51-32-64-200-182(193)194)210-159(260)123(74-103-43-31-42-102-41-19-20-44-107(102)103)219-158(259)121(72-100-39-17-14-18-40-100)206-141(243)84-204-151(252)119(69-93(2)3)215-171(272)131(226-150(251)109(189)77-142(244)245)86-283-285-88-133(230-173(134)274)170(271)213-117(53-34-66-202-184(197)198)180(281)236-67-35-54-137(236)175(276)222-127(79-140(191)242)163(264)216-120(70-94(4)5)166(267)232-146(96(8)9)178(279)231-135/h13-22,31,37-46,56-59,82-83,92-98,109,111-138,145-148,203,238-240H,12,23-30,32-36,47-55,60-81,84-91,185-189H2,1-11H3,(H2,190,241)(H2,191,242)(H2,192,250)(H,199,205)(H,204,252)(H,206,243)(H,207,253)(H,208,262)(H,209,265)(H,210,260)(H,211,269)(H,212,270)(H,213,271)(H,214,278)(H,215,272)(H,216,264)(H,217,254)(H,218,255)(H,219,259)(H,220,266)(H,221,263)(H,222,276)(H,223,277)(H,224,280)(H,225,273)(H,226,251)(H,227,257)(H,228,256)(H,229,261)(H,230,274)(H,231,279)(H,232,267)(H,233,268)(H,234,275)(H,235,258)(H,244,245)(H,246,247)(H,248,249)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t97-,98+,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,145-,146-,147-,148-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164309
(CHEMBL3797934)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccn1)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C178H267N51O45S7/c1-13-94(10)142-176(274)229-64-35-50-133(229)171(269)214-123(78-139(240)241)160(258)211-120(75-134(184)233)157(255)212-122(77-138(238)239)159(257)202-109(46-25-30-59-182)151(249)219-129-86-279-277-84-127(164(262)204-107(44-23-28-57-180)148(246)209-117(70-98-51-53-102(232)54-52-98)162(260)225-140(92(6)7)172(270)206-113(144(186)242)68-96-36-16-14-17-37-96)221-155(253)118(71-99-79-195-105-42-21-20-41-103(99)105)210-149(247)106(43-22-27-56-179)201-156(254)119(73-101-80-191-89-197-101)215-174(272)143(95(11)231)227-153(251)111(48-33-62-194-178(189)190)203-163(261)125(82-230)217-167(265)130-87-280-281-88-131(169(267)226-142)220-150(248)108(45-24-29-58-181)199-147(245)110(47-32-61-193-177(187)188)200-152(250)112(55-65-275-12)205-154(252)116(69-97-38-18-15-19-39-97)198-136(235)81-196-146(244)114(66-90(2)3)207-165(263)126(218-145(243)104(183)74-137(236)237)83-276-278-85-128(222-168(129)266)166(264)216-124(72-100-40-26-31-60-192-100)175(273)228-63-34-49-132(228)170(268)213-121(76-135(185)234)158(256)208-115(67-91(4)5)161(259)224-141(93(8)9)173(271)223-130/h14-21,26,31,36-42,51-54,60,79-80,89-95,104,106-133,140-143,195,230-232H,13,22-25,27-30,32-35,43-50,55-59,61-78,81-88,179-183H2,1-12H3,(H2,184,233)(H2,185,234)(H2,186,242)(H,191,197)(H,196,244)(H,198,235)(H,199,245)(H,200,250)(H,201,254)(H,202,257)(H,203,261)(H,204,262)(H,205,252)(H,206,270)(H,207,263)(H,208,256)(H,209,246)(H,210,247)(H,211,258)(H,212,255)(H,213,268)(H,214,269)(H,215,272)(H,216,264)(H,217,265)(H,218,243)(H,219,249)(H,220,248)(H,221,253)(H,222,266)(H,223,271)(H,224,259)(H,225,260)(H,226,267)(H,227,251)(H,236,237)(H,238,239)(H,240,241)(H4,187,188,193)(H4,189,190,194)/t94-,95+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,140-,141-,142-,143-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164312
(CHEMBL3797725)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCCN(C)C)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C178H275N51O45S7/c1-15-95(10)142-176(274)229-66-37-52-133(229)171(269)214-124(79-139(240)241)160(258)211-121(76-134(184)233)157(255)212-123(78-138(238)239)159(257)201-109(47-27-32-61-182)151(249)218-129-87-279-277-85-127(164(262)203-107(45-25-30-59-180)148(246)209-118(72-99-53-55-102(232)56-54-99)162(260)224-140(93(6)7)172(270)206-114(144(186)242)70-97-38-18-16-19-39-97)220-155(253)119(73-100-80-194-105-43-23-22-42-103(100)105)210-149(247)106(44-24-29-58-179)200-156(254)120(74-101-81-191-90-196-101)215-174(272)143(96(11)231)226-153(251)111(50-35-63-193-178(189)190)202-163(261)125(83-230)216-167(265)130-88-280-281-89-131(169(267)225-142)219-150(248)108(46-26-31-60-181)198-147(245)110(49-34-62-192-177(187)188)199-152(250)112(57-67-275-14)204-154(252)117(71-98-40-20-17-21-41-98)197-136(235)82-195-146(244)115(68-91(2)3)207-166(264)126(217-145(243)104(183)75-137(236)237)84-276-278-86-128(221-168(129)266)165(263)205-113(48-28-33-64-227(12)13)175(273)228-65-36-51-132(228)170(268)213-122(77-135(185)234)158(256)208-116(69-92(4)5)161(259)223-141(94(8)9)173(271)222-130/h16-23,38-43,53-56,80-81,90-96,104,106-133,140-143,194,230-232H,15,24-37,44-52,57-79,82-89,179-183H2,1-14H3,(H2,184,233)(H2,185,234)(H2,186,242)(H,191,196)(H,195,244)(H,197,235)(H,198,245)(H,199,250)(H,200,254)(H,201,257)(H,202,261)(H,203,262)(H,204,252)(H,205,263)(H,206,270)(H,207,264)(H,208,256)(H,209,246)(H,210,247)(H,211,258)(H,212,255)(H,213,268)(H,214,269)(H,215,272)(H,216,265)(H,217,243)(H,218,249)(H,219,248)(H,220,253)(H,221,266)(H,222,271)(H,223,259)(H,224,260)(H,225,267)(H,226,251)(H,236,237)(H,238,239)(H,240,241)(H4,187,188,192)(H4,189,190,193)/t95-,96+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,140-,141-,142-,143-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164186
(CHEMBL3798843)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C180H273N53O45S7/c1-13-94(10)143-177(278)233-65-34-51-134(233)172(273)219-125(78-140(244)245)161(262)216-122(75-135(186)237)158(259)217-124(77-139(242)243)160(261)206-110(46-24-28-60-184)152(253)223-130-86-283-281-84-128(165(266)208-108(44-22-26-58-182)149(250)214-119(70-97-52-54-102(236)55-53-97)163(264)229-141(92(6)7)173(274)211-115(145(188)246)71-99-39-29-38-98-37-17-18-40-103(98)99)225-156(257)120(72-100-79-199-106-42-20-19-41-104(100)106)215-150(251)107(43-21-25-57-181)205-157(258)121(73-101-80-195-89-201-101)220-175(276)144(95(11)235)231-154(255)112(48-31-62-197-179(191)192)207-164(265)126(82-234)221-168(269)131-87-284-285-88-132(170(271)230-143)224-151(252)109(45-23-27-59-183)203-148(249)111(47-30-61-196-178(189)190)204-153(254)113(56-66-279-12)209-155(256)118(69-96-35-15-14-16-36-96)202-137(239)81-200-147(248)116(67-90(2)3)212-167(268)127(222-146(247)105(185)74-138(240)241)83-280-282-85-129(226-169(130)270)166(267)210-114(49-32-63-198-180(193)194)176(277)232-64-33-50-133(232)171(272)218-123(76-136(187)238)159(260)213-117(68-91(4)5)162(263)228-142(93(8)9)174(275)227-131/h14-20,29,35-42,52-55,79-80,89-95,105,107-134,141-144,199,234-236H,13,21-28,30-34,43-51,56-78,81-88,181-185H2,1-12H3,(H2,186,237)(H2,187,238)(H2,188,246)(H,195,201)(H,200,248)(H,202,239)(H,203,249)(H,204,254)(H,205,258)(H,206,261)(H,207,265)(H,208,266)(H,209,256)(H,210,267)(H,211,274)(H,212,268)(H,213,260)(H,214,250)(H,215,251)(H,216,262)(H,217,259)(H,218,272)(H,219,273)(H,220,276)(H,221,269)(H,222,247)(H,223,253)(H,224,252)(H,225,257)(H,226,270)(H,227,275)(H,228,263)(H,229,264)(H,230,271)(H,231,255)(H,240,241)(H,242,243)(H,244,245)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t94-,95+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,141-,142-,143-,144-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164307
(CHEMBL3799378)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCN\C(NC)=N\C)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C178H275N53O45S7/c1-15-94(10)141-175(276)231-65-36-51-132(231)170(271)217-123(78-138(242)243)159(260)214-120(75-133(184)235)156(257)215-122(77-137(240)241)158(259)204-108(46-27-31-60-182)150(251)221-128-86-281-279-84-126(163(264)206-106(44-25-29-58-180)147(248)212-117(71-98-52-54-101(234)55-53-98)161(262)227-139(92(6)7)171(272)209-113(143(186)244)69-96-37-18-16-19-38-96)223-154(255)118(72-99-79-197-104-42-23-22-41-102(99)104)213-148(249)105(43-24-28-57-179)203-155(256)119(73-100-80-193-89-199-100)218-173(274)142(95(11)233)229-152(253)110(48-33-62-195-177(189)190)205-162(263)124(82-232)219-166(267)129-87-282-283-88-130(168(269)228-141)222-149(250)107(45-26-30-59-181)201-146(247)109(47-32-61-194-176(187)188)202-151(252)111(56-66-277-14)207-153(254)116(70-97-39-20-17-21-40-97)200-135(237)81-198-145(246)114(67-90(2)3)210-165(266)125(220-144(245)103(183)74-136(238)239)83-278-280-85-127(224-167(128)268)164(265)208-112(49-34-63-196-178(191-12)192-13)174(275)230-64-35-50-131(230)169(270)216-121(76-134(185)236)157(258)211-115(68-91(4)5)160(261)226-140(93(8)9)172(273)225-129/h16-23,37-42,52-55,79-80,89-95,103,105-132,139-142,197,232-234H,15,24-36,43-51,56-78,81-88,179-183H2,1-14H3,(H2,184,235)(H2,185,236)(H2,186,244)(H,193,199)(H,198,246)(H,200,237)(H,201,247)(H,202,252)(H,203,256)(H,204,259)(H,205,263)(H,206,264)(H,207,254)(H,208,265)(H,209,272)(H,210,266)(H,211,258)(H,212,248)(H,213,249)(H,214,260)(H,215,257)(H,216,270)(H,217,271)(H,218,274)(H,219,267)(H,220,245)(H,221,251)(H,222,250)(H,223,255)(H,224,268)(H,225,273)(H,226,261)(H,227,262)(H,228,269)(H,229,253)(H,238,239)(H,240,241)(H,242,243)(H4,187,188,194)(H4,189,190,195)(H2,191,192,196)/t94-,95+,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,139-,140-,141-,142-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164171
(CHEMBL3798261)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](Cc2cccc4ccccc24)NC3=O)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C183H271N53O45S7/c1-93(2)69-119-150(251)203-84-141(242)205-121(72-99-37-15-12-16-38-99)158(259)212-116(58-68-282-10)156(257)207-114(49-30-63-199-181(192)193)151(252)206-112(47-23-27-61-186)154(255)227-134-89-286-288-91-136-172(273)225-130(85-237)167(268)210-115(50-31-64-200-182(194)195)157(258)234-147(97(9)238)178(279)223-124(76-104-83-198-92-204-104)160(261)208-110(45-21-25-59-184)153(254)218-123(75-103-82-202-109-44-20-19-43-107(103)109)159(260)229-132(168(269)211-111(46-22-26-60-185)152(253)217-122(73-100-54-56-105(239)57-55-100)166(267)233-145(95(5)6)176(277)214-118(148(191)249)71-98-35-13-11-14-36-98)87-284-287-90-135(228-155(256)113(48-24-28-62-187)209-163(264)127(80-143(245)246)220-161(262)125(78-139(189)240)219-164(265)128(81-144(247)248)222-175(276)138-53-34-67-236(138)180(281)129(224-171(134)272)74-102-41-29-40-101-39-17-18-42-106(101)102)173(274)230-133(88-285-283-86-131(170(271)215-119)226-149(250)108(188)77-142(243)244)169(270)213-117(51-32-65-201-183(196)197)179(280)235-66-33-52-137(235)174(275)221-126(79-140(190)241)162(263)216-120(70-94(3)4)165(266)232-146(96(7)8)177(278)231-136/h11-20,29,35-44,54-57,82-83,92-97,108,110-138,145-147,202,237-239H,21-28,30-34,45-53,58-81,84-91,184-188H2,1-10H3,(H2,189,240)(H2,190,241)(H2,191,249)(H,198,204)(H,203,251)(H,205,242)(H,206,252)(H,207,257)(H,208,261)(H,209,264)(H,210,268)(H,211,269)(H,212,259)(H,213,270)(H,214,277)(H,215,271)(H,216,263)(H,217,253)(H,218,254)(H,219,265)(H,220,262)(H,221,275)(H,222,276)(H,223,279)(H,224,272)(H,225,273)(H,226,250)(H,227,255)(H,228,256)(H,229,260)(H,230,274)(H,231,278)(H,232,266)(H,233,267)(H,234,258)(H,243,244)(H,245,246)(H,247,248)(H4,192,193,199)(H4,194,195,200)(H4,196,197,201)/t97-,108+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,145+,146+,147+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164094
(CHEMBL3800248)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C180H280N54O45S7/c1-13-95(10)142-177(279)234-67-36-52-134(234)172(274)220-125(80-139(244)245)161(263)217-122(77-135(187)238)158(260)218-124(79-138(242)243)160(262)206-110(47-26-31-62-185)151(253)224-130-87-284-282-85-128(165(267)208-108(45-24-29-60-183)148(250)215-119(73-99-53-55-102(237)56-54-99)163(265)230-140(93(6)7)173(275)211-115(144(189)246)71-97-37-16-14-17-38-97)226-156(258)120(74-100-81-200-105-42-21-20-41-103(100)105)216-149(251)107(44-23-28-59-182)205-157(259)121(75-101-82-196-90-201-101)221-175(277)143(96(11)236)232-153(255)112(49-33-64-198-179(192)193)207-164(266)126(83-235)222-168(270)131-88-285-286-89-132(170(272)231-142)225-150(252)109(46-25-30-61-184)202-146(248)111(48-32-63-197-178(190)191)203-152(254)113(57-68-280-12)209-155(257)118(72-98-39-18-15-19-40-98)214-147(249)106(43-22-27-58-181)204-154(256)116(69-91(2)3)213-167(269)127(223-145(247)104(186)76-137(240)241)84-281-283-86-129(227-169(130)271)166(268)210-114(50-34-65-199-180(194)195)176(278)233-66-35-51-133(233)171(273)219-123(78-136(188)239)159(261)212-117(70-92(4)5)162(264)229-141(94(8)9)174(276)228-131/h14-21,37-42,53-56,81-82,90-96,104,106-134,140-143,200,235-237H,13,22-36,43-52,57-80,83-89,181-186H2,1-12H3,(H2,187,238)(H2,188,239)(H2,189,246)(H,196,201)(H,202,248)(H,203,254)(H,204,256)(H,205,259)(H,206,262)(H,207,266)(H,208,267)(H,209,257)(H,210,268)(H,211,275)(H,212,261)(H,213,269)(H,214,249)(H,215,250)(H,216,251)(H,217,263)(H,218,260)(H,219,273)(H,220,274)(H,221,277)(H,222,270)(H,223,247)(H,224,253)(H,225,252)(H,226,258)(H,227,271)(H,228,276)(H,229,264)(H,230,265)(H,231,272)(H,232,255)(H,240,241)(H,242,243)(H,244,245)(H4,190,191,197)(H4,192,193,198)(H4,194,195,199)/t95-,96+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,140-,141-,142-,143-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077787
(CHEMBL3416937)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C184H273N53O45S6/c1-12-97(10)147-181(282)237-68-36-55-138(237)176(277)223-129(81-144(248)249)165(266)220-126(78-139(190)241)162(263)221-128(80-143(246)247)164(265)209-114(50-26-30-63-188)156(257)227-134-89-286-284-87-132(169(270)212-112(48-24-28-61-186)153(254)217-122(73-101-56-58-106(240)59-57-101)167(268)233-145(95(6)7)177(278)214-118(149(192)250)71-99-37-15-13-16-38-99)229-160(261)124(75-104-82-203-110-46-22-21-45-108(104)110)218-154(255)111(47-23-27-60-185)208-161(262)125(76-105-83-199-92-205-105)224-179(280)148(98(11)239)235-157(258)116(52-33-65-201-183(195)196)211-168(269)130(85-238)225-172(273)135-90-287-288-91-136(174(275)234-147)228-155(256)113(49-25-29-62-187)207-152(253)115(51-32-64-200-182(193)194)210-159(260)123(74-103-43-31-42-102-41-19-20-44-107(102)103)219-158(259)121(72-100-39-17-14-18-40-100)206-141(243)84-204-151(252)119(69-93(2)3)215-171(272)131(226-150(251)109(189)77-142(244)245)86-283-285-88-133(230-173(134)274)170(271)213-117(53-34-66-202-184(197)198)180(281)236-67-35-54-137(236)175(276)222-127(79-140(191)242)163(264)216-120(70-94(4)5)166(267)232-146(96(8)9)178(279)231-135/h13-22,31,37-46,56-59,82-83,92-98,109,111-138,145-148,203,238-240H,12,23-30,32-36,47-55,60-81,84-91,185-189H2,1-11H3,(H2,190,241)(H2,191,242)(H2,192,250)(H,199,205)(H,204,252)(H,206,243)(H,207,253)(H,208,262)(H,209,265)(H,210,260)(H,211,269)(H,212,270)(H,213,271)(H,214,278)(H,215,272)(H,216,264)(H,217,254)(H,218,255)(H,219,259)(H,220,266)(H,221,263)(H,222,276)(H,223,277)(H,224,280)(H,225,273)(H,226,251)(H,227,257)(H,228,256)(H,229,261)(H,230,274)(H,231,279)(H,232,267)(H,233,268)(H,234,275)(H,235,258)(H,244,245)(H,246,247)(H,248,249)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t97-,98+,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,145-,146-,147-,148-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50163921
(CHEMBL3798549)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C172H266N52O42S7/c1-13-91(10)136-169(266)224-63-34-49-128(224)164(261)211-120(75-133(233)234)154(251)208-117(72-129(178)228)151(248)209-119(74-132(231)232)153(250)198-105(44-25-29-58-176)145(242)214-124-83-271-270-82-122(158(255)200-103(42-23-27-56-174)142(239)206-114(69-95-50-52-98(227)53-51-95)156(253)220-134(89(6)7)165(262)203-110(138(180)235)67-93-35-16-14-17-36-93)216-149(246)115(70-96-76-191-101-40-21-20-39-99(96)101)207-143(240)102(41-22-26-55-173)197-150(247)116(71-97-77-187-86-193-97)212-167(264)137(92(11)226)222-147(244)107(46-31-60-189-171(183)184)199-157(254)121(79-225)213-160(257)125-84-272-273-85-126(162(259)221-136)215-144(241)104(43-24-28-57-175)195-141(238)106(45-30-59-188-170(181)182)196-146(243)108(54-64-267-12)201-148(245)113(68-94-37-18-15-19-38-94)194-131(230)78-192-140(237)111(65-87(2)3)204-139(236)100(177)80-268-269-81-123(217-161(124)258)159(256)202-109(47-32-61-190-172(185)186)168(265)223-62-33-48-127(223)163(260)210-118(73-130(179)229)152(249)205-112(66-88(4)5)155(252)219-135(90(8)9)166(263)218-125/h14-21,35-40,50-53,76-77,86-92,100,102-128,134-137,191,225-227H,13,22-34,41-49,54-75,78-85,173-177H2,1-12H3,(H2,178,228)(H2,179,229)(H2,180,235)(H,187,193)(H,192,237)(H,194,230)(H,195,238)(H,196,243)(H,197,247)(H,198,250)(H,199,254)(H,200,255)(H,201,245)(H,202,256)(H,203,262)(H,204,236)(H,205,249)(H,206,239)(H,207,240)(H,208,251)(H,209,248)(H,210,260)(H,211,261)(H,212,264)(H,213,257)(H,214,242)(H,215,241)(H,216,246)(H,217,258)(H,218,263)(H,219,252)(H,220,253)(H,221,259)(H,222,244)(H,231,232)(H,233,234)(H4,181,182,188)(H4,183,184,189)(H4,185,186,190)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,134-,135-,136-,137-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077776
(CHEMBL3417035)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H271N55O45S7/c1-13-91(10)138-172(276)231-62-33-48-129(231)167(271)217-120(75-135(242)243)156(260)214-117(72-130(181)235)153(257)215-119(74-134(240)241)155(259)203-104(42-24-27-56-179)147(251)221-125-83-281-279-81-123(160(264)206-102(40-22-25-54-177)144(248)212-114(68-95-49-51-98(234)52-50-95)158(262)227-136(89(6)7)168(272)209-110(140(183)244)66-93-34-16-14-17-35-93)223-151(255)115(69-96-76-197-101-39-21-20-38-99(96)101)213-145(249)106(44-29-58-194-174(186)187)204-152(256)116(70-97-77-192-86-199-97)218-170(274)139(92(11)233)229-149(253)107(45-30-59-195-175(188)189)205-159(263)121(79-232)219-163(267)126-84-282-283-85-127(165(269)228-138)222-146(250)103(41-23-26-55-178)201-143(247)105(43-28-57-193-173(184)185)202-148(252)108(53-63-277-12)207-150(254)113(67-94-36-18-15-19-37-94)200-132(237)78-198-142(246)111(64-87(2)3)210-162(266)122(220-141(245)100(180)71-133(238)239)80-278-280-82-124(224-164(125)268)161(265)208-109(46-31-60-196-176(190)191)171(275)230-61-32-47-128(230)166(270)216-118(73-131(182)236)154(258)211-112(65-88(4)5)157(261)226-137(90(8)9)169(273)225-126/h14-21,34-39,49-52,76-77,86-92,100,102-129,136-139,197,232-234H,13,22-33,40-48,53-75,78-85,177-180H2,1-12H3,(H2,181,235)(H2,182,236)(H2,183,244)(H,192,199)(H,198,246)(H,200,237)(H,201,247)(H,202,252)(H,203,259)(H,204,256)(H,205,263)(H,206,264)(H,207,254)(H,208,265)(H,209,272)(H,210,266)(H,211,258)(H,212,248)(H,213,249)(H,214,260)(H,215,257)(H,216,270)(H,217,271)(H,218,274)(H,219,267)(H,220,245)(H,221,251)(H,222,250)(H,223,255)(H,224,268)(H,225,273)(H,226,261)(H,227,262)(H,228,269)(H,229,253)(H,238,239)(H,240,241)(H,242,243)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,136-,137-,138-,139-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164184
(CHEMBL3798824)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C180H273N53O44S7/c1-13-95(10)143-177(277)233-66-37-56-134(233)172(272)219-125(79-140(243)244)161(261)216-122(76-135(186)236)158(258)217-124(78-139(241)242)160(260)206-110(51-27-31-61-184)152(252)223-130-87-282-280-85-128(165(265)208-108(49-25-29-59-182)150(250)214-119(72-100-44-32-43-99-42-20-21-45-103(99)100)163(263)229-141(93(6)7)173(273)211-115(145(188)245)70-97-38-16-14-17-39-97)225-156(256)120(73-101-80-199-106-47-23-22-46-104(101)106)215-149(249)107(48-24-28-58-181)205-157(257)121(74-102-81-195-90-201-102)220-175(275)144(96(11)235)231-154(254)112(53-34-63-197-179(191)192)207-164(264)126(83-234)221-168(268)131-88-283-284-89-132(170(270)230-143)224-151(251)109(50-26-30-60-183)203-148(248)111(52-33-62-196-178(189)190)204-153(253)113(57-67-278-12)209-155(255)118(71-98-40-18-15-19-41-98)202-137(238)82-200-147(247)116(68-91(2)3)212-167(267)127(222-146(246)105(185)75-138(239)240)84-279-281-86-129(226-169(130)269)166(266)210-114(54-35-64-198-180(193)194)176(276)232-65-36-55-133(232)171(271)218-123(77-136(187)237)159(259)213-117(69-92(4)5)162(262)228-142(94(8)9)174(274)227-131/h14-23,32,38-47,80-81,90-96,105,107-134,141-144,199,234-235H,13,24-31,33-37,48-79,82-89,181-185H2,1-12H3,(H2,186,236)(H2,187,237)(H2,188,245)(H,195,201)(H,200,247)(H,202,238)(H,203,248)(H,204,253)(H,205,257)(H,206,260)(H,207,264)(H,208,265)(H,209,255)(H,210,266)(H,211,273)(H,212,267)(H,213,259)(H,214,250)(H,215,249)(H,216,261)(H,217,258)(H,218,271)(H,219,272)(H,220,275)(H,221,268)(H,222,246)(H,223,252)(H,224,251)(H,225,256)(H,226,269)(H,227,274)(H,228,262)(H,229,263)(H,230,270)(H,231,254)(H,239,240)(H,241,242)(H,243,244)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t95-,96+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,141-,142-,143-,144-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164298
(CHEMBL3800498)Show SMILES [H]C12CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1([H])CSSCC(NC(=O)C(N)CC(O)=O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc3ccccc3)C(=O)NC(CCSC)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC3([H])CSSCC([H])(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC2=O)C(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC([H])(C(C)O)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(CCCCN)C(=O)NC(Cc2c[nH]c4ccccc24)C(=O)NC(CSSCC([H])(NC(=O)C(CCCCN)NC(=O)C(CC(O)=O)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C2([H])CCCN2C(=O)C([H])(NC3=O)C(C)CC)C(=O)N1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C187H281N55O46S7/c1-13-98(10)149-184(288)242-67-36-53-140(242)179(283)227-131(81-146(253)254)168(272)224-128(78-141(193)246)165(269)225-130(80-145(251)252)167(271)214-115(48-27-31-62-191)158(262)232-136-90-293-291-88-134(172(276)216-113(46-25-29-60-189)155(259)222-125(73-102-54-56-106(245)57-55-102)170(274)238-147(96(6)7)180(284)228-124(72-101-39-18-15-19-40-101)162(266)219-120(151(195)255)74-103-82-206-110-43-22-20-41-107(103)110)234-163(267)126(75-104-83-207-111-44-23-21-42-108(104)111)223-156(260)112(45-24-28-59-188)213-164(268)127(76-105-84-202-93-209-105)229-182(286)150(99(11)244)240-160(264)117(50-33-64-204-186(198)199)215-171(275)132(86-243)230-175(279)137-91-294-295-92-138(177(281)239-149)233-157(261)114(47-26-30-61-190)211-154(258)116(49-32-63-203-185(196)197)212-159(263)118(58-68-289-12)217-161(265)123(71-100-37-16-14-17-38-100)210-143(248)85-208-153(257)121(69-94(2)3)220-174(278)133(231-152(256)109(192)77-144(249)250)87-290-292-89-135(235-176(136)280)173(277)218-119(51-34-65-205-187(200)201)183(287)241-66-35-52-139(241)178(282)226-129(79-142(194)247)166(270)221-122(70-95(4)5)169(273)237-148(97(8)9)181(285)236-137/h14-23,37-44,54-57,82-84,93-99,109,112-140,147-150,206-207,243-245H,13,24-36,45-53,58-81,85-92,188-192H2,1-12H3,(H2,193,246)(H2,194,247)(H2,195,255)(H,202,209)(H,208,257)(H,210,248)(H,211,258)(H,212,263)(H,213,268)(H,214,271)(H,215,275)(H,216,276)(H,217,265)(H,218,277)(H,219,266)(H,220,278)(H,221,270)(H,222,259)(H,223,260)(H,224,272)(H,225,269)(H,226,282)(H,227,283)(H,228,284)(H,229,286)(H,230,279)(H,231,256)(H,232,262)(H,233,261)(H,234,267)(H,235,280)(H,236,285)(H,237,273)(H,238,274)(H,239,281)(H,240,264)(H,249,250)(H,251,252)(H,253,254)(H4,196,197,203)(H4,198,199,204)(H4,200,201,205)/t98-,99+,109-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,147-,148-,149-,150-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077471
(CHEMBL3416886)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50163923
(CHEMBL3799252)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C178H273N53O46S7/c1-14-93(10)141-175(277)231-64-35-50-132(231)170(272)217-123(77-138(243)244)159(261)214-119(73-133(183)236)155(257)215-122(76-137(241)242)158(260)204-107(45-26-30-59-182)149(251)220-128-85-282-279-82-125(163(265)206-105(43-24-28-57-180)146(248)212-116(70-98-51-53-101(235)54-52-98)161(263)227-139(91(6)7)171(273)209-112(143(185)245)68-96-36-17-15-18-37-96)222-153(255)117(71-99-78-196-103-41-22-21-40-102(99)103)213-147(249)104(42-23-27-56-179)203-154(256)118(72-100-79-192-88-198-100)218-173(275)142(94(11)233)229-151(253)109(47-32-61-194-177(188)189)205-162(264)124(81-232)219-166(268)129-86-283-284-87-130(168(270)228-141)221-148(250)106(44-25-29-58-181)201-145(247)108(46-31-60-193-176(186)187)202-150(252)110(55-65-278-13)207-152(254)115(69-97-38-19-16-20-39-97)200-135(238)80-197-144(246)113(66-89(2)3)210-165(267)127(223-157(259)121(75-136(239)240)199-95(12)234)84-281-280-83-126(224-167(128)269)164(266)208-111(48-33-62-195-178(190)191)174(276)230-63-34-49-131(230)169(271)216-120(74-134(184)237)156(258)211-114(67-90(4)5)160(262)226-140(92(8)9)172(274)225-129/h15-22,36-41,51-54,78-79,88-94,104-132,139-142,196,232-233,235H,14,23-35,42-50,55-77,80-87,179-182H2,1-13H3,(H2,183,236)(H2,184,237)(H2,185,245)(H,192,198)(H,197,246)(H,199,234)(H,200,238)(H,201,247)(H,202,252)(H,203,256)(H,204,260)(H,205,264)(H,206,265)(H,207,254)(H,208,266)(H,209,273)(H,210,267)(H,211,258)(H,212,248)(H,213,249)(H,214,261)(H,215,257)(H,216,271)(H,217,272)(H,218,275)(H,219,268)(H,220,251)(H,221,250)(H,222,255)(H,223,259)(H,224,269)(H,225,274)(H,226,262)(H,227,263)(H,228,270)(H,229,253)(H,239,240)(H,241,242)(H,243,244)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,94+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,139-,140-,141-,142-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164285
(CHEMBL3800274)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C178H272N54O44S7/c1-13-93(10)141-175(276)232-63-36-53-132(232)170(271)218-123(76-138(242)243)159(260)215-120(73-133(184)235)156(257)216-122(75-137(240)241)158(259)205-108(48-27-31-58-182)150(251)222-128-85-281-279-83-126(163(264)207-106(46-25-29-56-180)148(249)214-118(70-98-78-198-104-44-23-21-42-101(98)104)161(262)228-139(91(6)7)171(272)210-113(143(186)244)67-95-37-16-14-17-38-95)224-154(255)117(69-97-77-197-103-43-22-20-41-100(97)103)213-147(248)105(45-24-28-55-179)204-155(256)119(71-99-79-193-88-200-99)219-173(274)142(94(11)234)230-152(253)110(50-33-60-195-177(189)190)206-162(263)124(81-233)220-166(267)129-86-282-283-87-130(168(269)229-141)223-149(250)107(47-26-30-57-181)202-146(247)109(49-32-59-194-176(187)188)203-151(252)111(54-64-277-12)208-153(254)116(68-96-39-18-15-19-40-96)201-135(237)80-199-145(246)114(65-89(2)3)211-165(266)125(221-144(245)102(183)72-136(238)239)82-278-280-84-127(225-167(128)268)164(265)209-112(51-34-61-196-178(191)192)174(275)231-62-35-52-131(231)169(270)217-121(74-134(185)236)157(258)212-115(66-90(4)5)160(261)227-140(92(8)9)172(273)226-129/h14-23,37-44,77-79,88-94,102,105-132,139-142,197-198,233-234H,13,24-36,45-76,80-87,179-183H2,1-12H3,(H2,184,235)(H2,185,236)(H2,186,244)(H,193,200)(H,199,246)(H,201,237)(H,202,247)(H,203,252)(H,204,256)(H,205,259)(H,206,263)(H,207,264)(H,208,254)(H,209,265)(H,210,272)(H,211,266)(H,212,258)(H,213,248)(H,214,249)(H,215,260)(H,216,257)(H,217,270)(H,218,271)(H,219,274)(H,220,267)(H,221,245)(H,222,251)(H,223,250)(H,224,255)(H,225,268)(H,226,273)(H,227,261)(H,228,262)(H,229,269)(H,230,253)(H,238,239)(H,240,241)(H,242,243)(H4,187,188,194)(H4,189,190,195)(H4,191,192,196)/t93-,94+,102-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,139-,140-,141-,142-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164311
(CHEMBL3799379)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C174H264N52O47S7/c1-13-89(10)137-171(273)226-59-32-46-127(226)166(268)212-118(73-134(239)240)155(257)208-114(69-128(179)230)151(253)210-116(71-132(235)236)153(255)198-102(41-24-27-54-177)145(247)216-123-81-278-276-79-121(159(261)200-100(39-22-25-52-175)143(245)206-111(65-93-47-49-96(229)50-48-93)157(259)222-135(87(6)7)167(269)203-107(139(181)241)63-91-33-16-14-17-34-91)218-149(251)112(66-94-74-192-99-38-21-20-37-97(94)99)207-154(256)117(72-133(237)238)209-150(252)113(67-95-75-188-84-194-95)213-169(271)138(90(11)228)224-147(249)104(43-29-56-190-173(184)185)199-158(260)119(77-227)214-162(264)124-82-279-280-83-125(164(266)223-137)217-144(246)101(40-23-26-53-176)196-142(244)103(42-28-55-189-172(182)183)197-146(248)105(51-60-274-12)201-148(250)110(64-92-35-18-15-19-36-92)195-130(232)76-193-141(243)108(61-85(2)3)204-161(263)120(215-140(242)98(178)68-131(233)234)78-275-277-80-122(219-163(123)265)160(262)202-106(44-30-57-191-174(186)187)170(272)225-58-31-45-126(225)165(267)211-115(70-129(180)231)152(254)205-109(62-86(4)5)156(258)221-136(88(8)9)168(270)220-124/h14-21,33-38,47-50,74-75,84-90,98,100-127,135-138,192,227-229H,13,22-32,39-46,51-73,76-83,175-178H2,1-12H3,(H2,179,230)(H2,180,231)(H2,181,241)(H,188,194)(H,193,243)(H,195,232)(H,196,244)(H,197,248)(H,198,255)(H,199,260)(H,200,261)(H,201,250)(H,202,262)(H,203,269)(H,204,263)(H,205,254)(H,206,245)(H,207,256)(H,208,257)(H,209,252)(H,210,253)(H,211,267)(H,212,268)(H,213,271)(H,214,264)(H,215,242)(H,216,247)(H,217,246)(H,218,251)(H,219,265)(H,220,270)(H,221,258)(H,222,259)(H,223,266)(H,224,249)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H4,182,183,189)(H4,184,185,190)(H4,186,187,191)/t89-,90+,98-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,135-,136-,137-,138-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164085
(CHEMBL3799874)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C175H266N50O47S7/c1-13-91(10)139-173(272)225-62-33-47-129(225)168(267)211-120(75-136(238)239)157(256)208-117(72-130(181)229)154(253)209-119(74-135(236)237)156(255)198-105(43-25-29-58-179)148(247)215-125-83-277-275-81-123(161(260)200-103(41-23-27-56-177)145(244)206-114(68-95-48-50-98(228)51-49-95)159(258)221-137(89(6)7)169(268)203-110(141(183)240)66-93-34-16-14-17-35-93)217-152(251)115(69-96-76-191-101-39-21-20-38-99(96)101)207-146(245)102(40-22-26-55-176)197-153(252)116(70-97-77-188-86-193-97)212-171(270)140(92(11)227)223-150(249)107(45-31-60-190-175(186)187)199-160(259)121(79-226)213-164(263)126-84-278-279-85-127(166(265)222-139)216-147(246)104(42-24-28-57-178)195-144(243)106(44-30-59-189-174(184)185)196-149(248)108(54-63-273-12)201-151(250)113(67-94-36-18-15-19-37-94)194-132(231)78-192-143(242)111(64-87(2)3)204-163(262)122(214-142(241)100(180)71-134(234)235)80-274-276-82-124(218-165(125)264)162(261)202-109(52-53-133(232)233)172(271)224-61-32-46-128(224)167(266)210-118(73-131(182)230)155(254)205-112(65-88(4)5)158(257)220-138(90(8)9)170(269)219-126/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,191,226-228H,13,22-33,40-47,52-75,78-85,176-180H2,1-12H3,(H2,181,229)(H2,182,230)(H2,183,240)(H,188,193)(H,192,242)(H,194,231)(H,195,243)(H,196,248)(H,197,252)(H,198,255)(H,199,259)(H,200,260)(H,201,250)(H,202,261)(H,203,268)(H,204,262)(H,205,254)(H,206,244)(H,207,245)(H,208,256)(H,209,253)(H,210,266)(H,211,267)(H,212,270)(H,213,263)(H,214,241)(H,215,247)(H,216,246)(H,217,251)(H,218,264)(H,219,269)(H,220,257)(H,221,258)(H,222,265)(H,223,249)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,184,185,189)(H4,186,187,190)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164374
(CHEMBL3799619)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cc3ccccc3[nH]1)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C181H269N51O45S7/c1-13-95(10)145-179(277)232-64-35-51-136(232)174(272)217-126(79-142(243)244)163(261)214-123(76-137(187)236)160(258)215-125(78-141(241)242)162(260)205-112(47-27-31-60-185)154(252)222-132-87-282-280-85-130(167(265)207-110(45-25-29-58-183)151(249)212-120(70-99-52-54-104(235)55-53-99)165(263)228-143(93(6)7)175(273)209-116(147(189)245)68-97-36-16-14-17-37-97)224-158(256)121(72-101-80-197-108-43-23-21-41-105(101)108)213-152(250)109(44-24-28-57-182)204-159(257)122(74-103-81-194-90-199-103)218-177(275)146(96(11)234)230-156(254)114(49-33-62-196-181(192)193)206-166(264)128(83-233)220-170(268)133-88-283-284-89-134(172(270)229-145)223-153(251)111(46-26-30-59-184)202-150(248)113(48-32-61-195-180(190)191)203-155(253)115(56-65-278-12)208-157(255)119(69-98-38-18-15-19-39-98)201-139(238)82-198-149(247)117(66-91(2)3)210-168(266)129(221-148(246)106(186)75-140(239)240)84-279-281-86-131(225-171(132)269)169(267)219-127(73-102-71-100-40-20-22-42-107(100)200-102)178(276)231-63-34-50-135(231)173(271)216-124(77-138(188)237)161(259)211-118(67-92(4)5)164(262)227-144(94(8)9)176(274)226-133/h14-23,36-43,52-55,71,80-81,90-96,106,109-136,143-146,197,200,233-235H,13,24-35,44-51,56-70,72-79,82-89,182-186H2,1-12H3,(H2,187,236)(H2,188,237)(H2,189,245)(H,194,199)(H,198,247)(H,201,238)(H,202,248)(H,203,253)(H,204,257)(H,205,260)(H,206,264)(H,207,265)(H,208,255)(H,209,273)(H,210,266)(H,211,259)(H,212,249)(H,213,250)(H,214,261)(H,215,258)(H,216,271)(H,217,272)(H,218,275)(H,219,267)(H,220,268)(H,221,246)(H,222,252)(H,223,251)(H,224,256)(H,225,269)(H,226,274)(H,227,262)(H,228,263)(H,229,270)(H,230,254)(H,239,240)(H,241,242)(H,243,244)(H4,190,191,195)(H4,192,193,196)/t95-,96+,106-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,143-,144-,145-,146-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077465
(CHEMBL3416892)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164276
(CHEMBL3797210)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H272N56O45S7/c1-11-91(8)138-172(277)232-64-33-49-129(232)167(272)218-120(76-135(243)244)156(261)215-117(73-130(182)236)153(258)216-119(75-134(241)242)155(260)206-106(43-23-27-58-180)147(252)222-125-84-282-280-82-123(161(266)208-104(41-21-25-56-178)144(249)213-114(69-95-50-52-98(235)53-51-95)158(263)228-136(89(4)5)168(273)211-111(140(184)245)67-93-34-14-12-15-35-93)224-151(256)115(70-96-77-198-101-39-19-18-38-99(96)101)214-145(250)103(40-20-24-55-177)205-152(257)116(71-97-78-193-87-200-97)219-170(275)139(92(9)234)230-149(254)108(46-30-61-196-175(189)190)207-159(264)121(80-233)220-163(268)126-85-283-284-86-127(165(270)229-138)223-146(251)105(42-22-26-57-179)203-143(248)107(45-29-60-195-174(187)188)204-148(253)109(54-65-278-10)209-150(255)113(68-94-36-16-13-17-37-94)201-132(238)79-199-142(247)102(44-28-59-194-173(185)186)202-160(265)122(221-141(246)100(181)72-133(239)240)81-279-281-83-124(225-164(125)269)162(267)210-110(47-31-62-197-176(191)192)171(276)231-63-32-48-128(231)166(271)217-118(74-131(183)237)154(259)212-112(66-88(2)3)157(262)227-137(90(6)7)169(274)226-126/h12-19,34-39,50-53,77-78,87-92,100,102-129,136-139,198,233-235H,11,20-33,40-49,54-76,79-86,177-181H2,1-10H3,(H2,182,236)(H2,183,237)(H2,184,245)(H,193,200)(H,199,247)(H,201,238)(H,202,265)(H,203,248)(H,204,253)(H,205,257)(H,206,260)(H,207,264)(H,208,266)(H,209,255)(H,210,267)(H,211,273)(H,212,259)(H,213,249)(H,214,250)(H,215,261)(H,216,258)(H,217,271)(H,218,272)(H,219,275)(H,220,268)(H,221,246)(H,222,252)(H,223,251)(H,224,256)(H,225,269)(H,226,274)(H,227,262)(H,228,263)(H,229,270)(H,230,254)(H,239,240)(H,241,242)(H,243,244)(H4,185,186,194)(H4,187,188,195)(H4,189,190,196)(H4,191,192,197)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,136-,137-,138-,139-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164364
(CHEMBL3797461)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3cc4ccccc4[nH]3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C182H272N54O45S6/c1-12-95(10)145-179(281)236-65-35-52-136(236)174(276)222-127(79-142(247)248)163(265)219-124(76-137(188)240)160(262)220-126(78-141(245)246)162(264)208-112(47-26-30-60-186)154(256)226-132-87-285-283-85-130(167(269)211-110(45-24-28-58-184)151(253)216-120(70-99-53-55-104(239)56-54-99)165(267)232-143(93(6)7)175(277)213-116(147(190)249)68-97-36-15-13-16-37-97)228-157(259)121(72-101-80-201-108-43-22-20-41-105(101)108)217-152(254)109(44-23-27-57-183)207-159(261)123(74-103-81-197-90-203-103)223-177(279)146(96(11)238)234-155(257)114(49-32-62-199-181(193)194)210-166(268)128(83-237)224-170(272)133-88-286-287-89-134(172(274)233-145)227-153(255)111(46-25-29-59-185)206-150(252)113(48-31-61-198-180(191)192)209-158(260)122(73-102-71-100-40-19-21-42-107(100)204-102)218-156(258)119(69-98-38-17-14-18-39-98)205-139(242)82-202-149(251)117(66-91(2)3)214-169(271)129(225-148(250)106(187)75-140(243)244)84-282-284-86-131(229-171(132)273)168(270)212-115(50-33-63-200-182(195)196)178(280)235-64-34-51-135(235)173(275)221-125(77-138(189)241)161(263)215-118(67-92(4)5)164(266)231-144(94(8)9)176(278)230-133/h13-22,36-43,53-56,71,80-81,90-96,106,109-136,143-146,201,204,237-239H,12,23-35,44-52,57-70,72-79,82-89,183-187H2,1-11H3,(H2,188,240)(H2,189,241)(H2,190,249)(H,197,203)(H,202,251)(H,205,242)(H,206,252)(H,207,261)(H,208,264)(H,209,260)(H,210,268)(H,211,269)(H,212,270)(H,213,277)(H,214,271)(H,215,263)(H,216,253)(H,217,254)(H,218,258)(H,219,265)(H,220,262)(H,221,275)(H,222,276)(H,223,279)(H,224,272)(H,225,250)(H,226,256)(H,227,255)(H,228,259)(H,229,273)(H,230,278)(H,231,266)(H,232,267)(H,233,274)(H,234,257)(H,243,244)(H,245,246)(H,247,248)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/t95-,96+,106-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,143-,144-,145-,146-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164175
(CHEMBL3800477)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cccc4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C178H272N52O45S7/c1-13-94(10)141-175(275)230-66-35-52-132(230)170(270)216-123(79-138(241)242)159(259)213-120(76-133(184)234)156(256)214-122(78-137(239)240)158(258)203-108(47-25-29-61-182)150(250)220-128-86-280-278-84-126(163(263)205-106(45-23-27-59-180)147(247)211-117(72-98-53-55-102(233)56-54-98)161(261)226-139(92(6)7)171(271)208-113(143(186)243)70-96-36-16-14-17-37-96)222-154(254)118(73-100-42-30-41-99-40-20-21-43-103(99)100)212-148(248)105(44-22-26-58-179)202-155(255)119(74-101-80-193-89-198-101)217-173(273)142(95(11)232)228-152(252)110(49-32-63-195-177(189)190)204-162(262)124(82-231)218-166(266)129-87-281-282-88-130(168(268)227-141)221-149(249)107(46-24-28-60-181)200-146(246)109(48-31-62-194-176(187)188)201-151(251)111(57-67-276-12)206-153(253)116(71-97-38-18-15-19-39-97)199-135(236)81-197-145(245)114(68-90(2)3)209-165(265)125(219-144(244)104(183)75-136(237)238)83-277-279-85-127(223-167(128)267)164(264)207-112(50-33-64-196-178(191)192)174(274)229-65-34-51-131(229)169(269)215-121(77-134(185)235)157(257)210-115(69-91(4)5)160(260)225-140(93(8)9)172(272)224-129/h14-21,30,36-43,53-56,80,89-95,104-132,139-142,231-233H,13,22-29,31-35,44-52,57-79,81-88,179-183H2,1-12H3,(H2,184,234)(H2,185,235)(H2,186,243)(H,193,198)(H,197,245)(H,199,236)(H,200,246)(H,201,251)(H,202,255)(H,203,258)(H,204,262)(H,205,263)(H,206,253)(H,207,264)(H,208,271)(H,209,265)(H,210,257)(H,211,247)(H,212,248)(H,213,259)(H,214,256)(H,215,269)(H,216,270)(H,217,273)(H,218,266)(H,219,244)(H,220,250)(H,221,249)(H,222,254)(H,223,267)(H,224,272)(H,225,260)(H,226,261)(H,227,268)(H,228,252)(H,237,238)(H,239,240)(H,241,242)(H4,187,188,194)(H4,189,190,195)(H4,191,192,196)/t94-,95+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,139-,140-,141-,142-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077779
(CHEMBL3416944)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C178H276N56O44S7/c1-12-94(10)141-174(278)234-65-34-50-132(234)170(274)222-123(78-138(244)245)159(263)219-120(75-133(184)237)156(260)220-122(77-137(242)243)158(262)208-107(44-24-28-59-182)151(255)225-128-86-283-281-84-126(163(267)210-105(42-22-26-57-180)147(251)216-117(71-97-51-53-100(236)54-52-97)161(265)231-139(92(6)7)171(275)213-113(142(186)246)69-95-35-15-13-16-36-95)227-154(258)118(72-98-79-200-103-40-20-19-39-101(98)103)217-148(252)104(41-21-25-56-179)207-155(259)119(73-99-80-195-89-202-99)218-149(253)110(47-31-62-198-177(191)192)205-146(250)109(46-30-61-197-176(189)190)209-162(266)124(82-235)223-166(270)129-87-284-285-88-130(168(272)232-141)226-150(254)106(43-23-27-58-181)204-145(249)108(45-29-60-196-175(187)188)206-152(256)111(55-66-279-11)211-153(257)116(70-96-37-17-14-18-38-96)203-135(239)81-201-144(248)114(67-90(2)3)214-165(269)125(224-143(247)102(183)74-136(240)241)83-280-282-85-127(228-167(128)271)164(268)212-112(48-32-63-199-178(193)194)173(277)233-64-33-49-131(233)169(273)221-121(76-134(185)238)157(261)215-115(68-91(4)5)160(264)230-140(93(8)9)172(276)229-129/h13-20,35-40,51-54,79-80,89-94,102,104-132,139-141,200,235-236H,12,21-34,41-50,55-78,81-88,179-183H2,1-11H3,(H2,184,237)(H2,185,238)(H2,186,246)(H,195,202)(H,201,248)(H,203,239)(H,204,249)(H,205,250)(H,206,256)(H,207,259)(H,208,262)(H,209,266)(H,210,267)(H,211,257)(H,212,268)(H,213,275)(H,214,269)(H,215,261)(H,216,251)(H,217,252)(H,218,253)(H,219,263)(H,220,260)(H,221,273)(H,222,274)(H,223,270)(H,224,247)(H,225,255)(H,226,254)(H,227,258)(H,228,271)(H,229,276)(H,230,264)(H,231,265)(H,232,272)(H,240,241)(H,242,243)(H,244,245)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t94-,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,139-,140-,141-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164289
(CHEMBL3800566)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C187H279N53O45S7/c1-13-99(10)149-184(285)240-70-37-56-141(240)179(280)226-132(84-146(250)251)168(269)223-129(81-142(193)244)165(266)224-131(83-145(248)249)167(268)211-116(51-27-31-65-191)157(258)230-137-91-290-288-89-135(172(273)213-114(49-25-29-63-189)154(255)219-125(76-103-57-59-108(243)60-58-103)170(271)236-147(97(6)7)180(281)216-121(151(195)252)74-101-38-16-14-17-39-101)232-163(264)127(78-106-85-206-112-47-23-22-46-110(106)112)221-155(256)113(48-24-28-62-188)210-164(265)128(79-107-86-202-94-207-107)227-182(283)150(100(11)242)238-159(260)118(53-34-67-204-186(198)199)212-171(272)133(87-241)228-175(276)138-92-291-292-93-139(177(278)237-149)231-156(257)115(50-26-30-64-190)208-153(254)117(52-33-66-203-185(196)197)209-158(259)119(61-71-286-12)214-161(262)124(75-102-40-18-15-19-41-102)220-162(263)126(77-105-44-32-43-104-42-20-21-45-109(104)105)222-160(261)122(72-95(2)3)218-174(275)134(229-152(253)111(192)80-144(246)247)88-287-289-90-136(233-176(137)277)173(274)215-120(54-35-68-205-187(200)201)183(284)239-69-36-55-140(239)178(279)225-130(82-143(194)245)166(267)217-123(73-96(4)5)169(270)235-148(98(8)9)181(282)234-138/h14-23,32,38-47,57-60,85-86,94-100,111,113-141,147-150,206,241-243H,13,24-31,33-37,48-56,61-84,87-93,188-192H2,1-12H3,(H2,193,244)(H2,194,245)(H2,195,252)(H,202,207)(H,208,254)(H,209,259)(H,210,265)(H,211,268)(H,212,272)(H,213,273)(H,214,262)(H,215,274)(H,216,281)(H,217,267)(H,218,275)(H,219,255)(H,220,263)(H,221,256)(H,222,261)(H,223,269)(H,224,266)(H,225,279)(H,226,280)(H,227,283)(H,228,276)(H,229,253)(H,230,258)(H,231,257)(H,232,264)(H,233,277)(H,234,282)(H,235,270)(H,236,271)(H,237,278)(H,238,260)(H,246,247)(H,248,249)(H,250,251)(H4,196,197,203)(H4,198,199,204)(H4,200,201,205)/t99-,100+,111-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,147-,148-,149-,150-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164186
(CHEMBL3798843)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C180H273N53O45S7/c1-13-94(10)143-177(278)233-65-34-51-134(233)172(273)219-125(78-140(244)245)161(262)216-122(75-135(186)237)158(259)217-124(77-139(242)243)160(261)206-110(46-24-28-60-184)152(253)223-130-86-283-281-84-128(165(266)208-108(44-22-26-58-182)149(250)214-119(70-97-52-54-102(236)55-53-97)163(264)229-141(92(6)7)173(274)211-115(145(188)246)71-99-39-29-38-98-37-17-18-40-103(98)99)225-156(257)120(72-100-79-199-106-42-20-19-41-104(100)106)215-150(251)107(43-21-25-57-181)205-157(258)121(73-101-80-195-89-201-101)220-175(276)144(95(11)235)231-154(255)112(48-31-62-197-179(191)192)207-164(265)126(82-234)221-168(269)131-87-284-285-88-132(170(271)230-143)224-151(252)109(45-23-27-59-183)203-148(249)111(47-30-61-196-178(189)190)204-153(254)113(56-66-279-12)209-155(256)118(69-96-35-15-14-16-36-96)202-137(239)81-200-147(248)116(67-90(2)3)212-167(268)127(222-146(247)105(185)74-138(240)241)83-280-282-85-129(226-169(130)270)166(267)210-114(49-32-63-198-180(193)194)176(277)232-64-33-50-133(232)171(272)218-123(76-136(187)238)159(260)213-117(68-91(4)5)162(263)228-142(93(8)9)174(275)227-131/h14-20,29,35-42,52-55,79-80,89-95,105,107-134,141-144,199,234-236H,13,21-28,30-34,43-51,56-78,81-88,181-185H2,1-12H3,(H2,186,237)(H2,187,238)(H2,188,246)(H,195,201)(H,200,248)(H,202,239)(H,203,249)(H,204,254)(H,205,258)(H,206,261)(H,207,265)(H,208,266)(H,209,256)(H,210,267)(H,211,274)(H,212,268)(H,213,260)(H,214,250)(H,215,251)(H,216,262)(H,217,259)(H,218,272)(H,219,273)(H,220,276)(H,221,269)(H,222,247)(H,223,253)(H,224,252)(H,225,257)(H,226,270)(H,227,275)(H,228,263)(H,229,264)(H,230,271)(H,231,255)(H,240,241)(H,242,243)(H,244,245)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t94-,95+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,141-,142-,143-,144-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50163929
(CHEMBL3799377)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C178H276N54O44S7/c1-12-95(10)142-175(276)232-66-35-51-133(232)171(272)220-124(79-139(242)243)160(261)217-121(76-134(185)235)157(258)218-123(78-138(240)241)159(260)206-109(46-25-30-61-183)152(253)223-129-87-281-279-85-127(164(265)208-107(44-23-28-59-181)148(249)214-118(72-98-52-54-101(234)55-53-98)162(263)229-140(93(6)7)172(273)211-114(143(187)244)70-96-36-15-13-16-37-96)225-155(256)119(73-99-80-198-104-41-20-19-40-102(99)104)215-149(250)106(43-22-27-58-180)205-156(257)120(74-100-81-194-90-200-100)216-150(251)105(42-21-26-57-179)202-147(248)111(48-32-63-196-177(190)191)207-163(264)125(83-233)221-167(268)130-88-282-283-89-131(169(270)230-142)224-151(252)108(45-24-29-60-182)203-146(247)110(47-31-62-195-176(188)189)204-153(254)112(56-67-277-11)209-154(255)117(71-97-38-17-14-18-39-97)201-136(237)82-199-145(246)115(68-91(2)3)212-166(267)126(222-144(245)103(184)75-137(238)239)84-278-280-86-128(226-168(129)269)165(266)210-113(49-33-64-197-178(192)193)174(275)231-65-34-50-132(231)170(271)219-122(77-135(186)236)158(259)213-116(69-92(4)5)161(262)228-141(94(8)9)173(274)227-130/h13-20,36-41,52-55,80-81,90-95,103,105-133,140-142,198,233-234H,12,21-35,42-51,56-79,82-89,179-184H2,1-11H3,(H2,185,235)(H2,186,236)(H2,187,244)(H,194,200)(H,199,246)(H,201,237)(H,202,248)(H,203,247)(H,204,254)(H,205,257)(H,206,260)(H,207,264)(H,208,265)(H,209,255)(H,210,266)(H,211,273)(H,212,267)(H,213,259)(H,214,249)(H,215,250)(H,216,251)(H,217,261)(H,218,258)(H,219,271)(H,220,272)(H,221,268)(H,222,245)(H,223,253)(H,224,252)(H,225,256)(H,226,269)(H,227,274)(H,228,262)(H,229,263)(H,230,270)(H,238,239)(H,240,241)(H,242,243)(H4,188,189,195)(H4,190,191,196)(H4,192,193,197)/t95-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,140-,141-,142-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164275
(CHEMBL3800461)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C182H272N54O45S7/c1-11-95(8)145-179(281)236-65-34-51-137(236)175(277)223-128(79-143(247)248)165(267)220-125(76-138(188)240)162(264)221-127(78-142(245)246)164(266)209-112(46-25-29-60-186)154(256)227-134-89-287-284-86-131(168(270)211-110(44-23-27-58-184)151(253)217-121(71-99-52-54-103(239)55-53-99)166(268)232-144(94(6)7)176(278)214-117(147(190)249)69-97-35-14-12-15-36-97)229-159(261)122(72-100-80-201-107-41-20-18-39-104(100)107)218-152(254)109(43-22-26-57-183)208-161(263)124(74-102-82-197-91-204-102)224-177(279)146(96(9)238)234-156(258)114(48-31-62-199-181(193)194)210-167(269)129(84-237)225-171(273)133-88-286-288-90-135(173(275)233-145)228-153(255)111(45-24-28-59-185)206-150(252)113(47-30-61-198-180(191)192)207-155(257)115(56-66-282-10)212-158(260)120(70-98-37-16-13-17-38-98)205-140(242)83-203-149(251)118(67-92(2)3)215-170(272)130(226-148(250)106(187)75-141(243)244)85-283-285-87-132(231-172(134)274)169(271)213-116(49-32-63-200-182(195)196)178(280)235-64-33-50-136(235)174(276)222-126(77-139(189)241)163(265)216-119(68-93(4)5)157(259)219-123(160(262)230-133)73-101-81-202-108-42-21-19-40-105(101)108/h12-21,35-42,52-55,80-82,91-96,106,109-137,144-146,201-202,237-239H,11,22-34,43-51,56-79,83-90,183-187H2,1-10H3,(H2,188,240)(H2,189,241)(H2,190,249)(H,197,204)(H,203,251)(H,205,242)(H,206,252)(H,207,257)(H,208,263)(H,209,266)(H,210,269)(H,211,270)(H,212,260)(H,213,271)(H,214,278)(H,215,272)(H,216,265)(H,217,253)(H,218,254)(H,219,259)(H,220,267)(H,221,264)(H,222,276)(H,223,277)(H,224,279)(H,225,273)(H,226,250)(H,227,256)(H,228,255)(H,229,261)(H,230,262)(H,231,274)(H,232,268)(H,233,275)(H,234,258)(H,243,244)(H,245,246)(H,247,248)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/t95-,96+,106-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,144-,145-,146-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164304
(CHEMBL3800075)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@]4([H])CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC2=O)C(C)C |r| Show InChI InChI=1S/C173H265N53O46S7/c1-86(2)62-109-140(242)193-76-131(233)195-111(65-92-34-15-12-16-35-92)148(250)202-106(51-61-273-10)146(248)197-104(42-27-56-189-171(182)183)141(243)196-102(40-21-25-54-176)144(246)217-124-82-277-279-84-126-161(263)214-119(77-227)157(259)200-105(43-28-57-190-172(184)185)147(249)224-137(90(9)229)168(270)213-114(68-95-75-188-85-194-95)150(252)198-100(38-19-23-52-174)143(245)208-113(67-94-74-192-99-37-18-17-36-97(94)99)149(251)219-122(158(260)201-101(39-20-24-53-175)142(244)207-112(66-93-47-49-96(230)50-48-93)156(258)223-135(88(5)6)166(268)204-108(138(181)240)64-91-32-13-11-14-33-91)80-275-278-83-125(218-145(247)103(41-22-26-55-177)199-153(255)117(72-133(236)237)210-151(253)115(70-129(179)231)209-154(256)118(73-134(238)239)212-165(267)128-46-31-60-226(128)170(272)120(78-228)215-162(124)264)163(265)220-123(81-276-274-79-121(160(262)205-109)216-139(241)98(178)69-132(234)235)159(261)203-107(44-29-58-191-173(186)187)169(271)225-59-30-45-127(225)164(266)211-116(71-130(180)232)152(254)206-110(63-87(3)4)155(257)222-136(89(7)8)167(269)221-126/h11-18,32-37,47-50,74-75,85-90,98,100-128,135-137,192,227-230H,19-31,38-46,51-73,76-84,174-178H2,1-10H3,(H2,179,231)(H2,180,232)(H2,181,240)(H,188,194)(H,193,242)(H,195,233)(H,196,243)(H,197,248)(H,198,252)(H,199,255)(H,200,259)(H,201,260)(H,202,250)(H,203,261)(H,204,268)(H,205,262)(H,206,254)(H,207,244)(H,208,245)(H,209,256)(H,210,253)(H,211,266)(H,212,267)(H,213,270)(H,214,263)(H,215,264)(H,216,241)(H,217,246)(H,218,247)(H,219,251)(H,220,265)(H,221,269)(H,222,257)(H,223,258)(H,224,249)(H,234,235)(H,236,237)(H,238,239)(H4,182,183,189)(H4,184,185,190)(H4,186,187,191)/t90-,98+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,135+,136+,137+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50163935
(CHEMBL3799794)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C177H274N54O45S7/c1-11-93(8)140-174(276)231-65-34-50-132(231)170(272)218-123(78-138(242)243)160(262)215-120(75-133(184)235)157(259)216-122(77-137(240)241)159(261)205-108(45-24-29-60-182)150(252)222-128-86-281-279-84-126(163(265)207-106(43-22-27-58-180)147(249)213-117(71-97-51-53-100(234)54-52-97)154(256)203-104(41-20-25-56-178)146(248)210-113(142(186)244)69-95-35-14-12-15-36-95)224-155(257)118(72-98-79-197-103-40-19-18-39-101(98)103)214-148(250)105(42-21-26-57-179)204-156(258)119(73-99-80-193-89-199-99)219-172(274)141(94(9)233)229-152(254)110(47-31-62-195-176(189)190)206-162(264)124(82-232)220-166(268)129-87-282-283-88-130(168(270)228-140)223-149(251)107(44-23-28-59-181)201-145(247)109(46-30-61-194-175(187)188)202-151(253)111(55-66-277-10)208-153(255)116(70-96-37-16-13-17-38-96)200-135(237)81-198-144(246)114(67-90(2)3)211-165(267)125(221-143(245)102(183)74-136(238)239)83-278-280-85-127(225-167(128)269)164(266)209-112(48-32-63-196-177(191)192)173(275)230-64-33-49-131(230)169(271)217-121(76-134(185)236)158(260)212-115(68-91(4)5)161(263)227-139(92(6)7)171(273)226-129/h12-19,35-40,51-54,79-80,89-94,102,104-132,139-141,197,232-234H,11,20-34,41-50,55-78,81-88,178-183H2,1-10H3,(H2,184,235)(H2,185,236)(H2,186,244)(H,193,199)(H,198,246)(H,200,237)(H,201,247)(H,202,253)(H,203,256)(H,204,258)(H,205,261)(H,206,264)(H,207,265)(H,208,255)(H,209,266)(H,210,248)(H,211,267)(H,212,260)(H,213,249)(H,214,250)(H,215,262)(H,216,259)(H,217,271)(H,218,272)(H,219,274)(H,220,268)(H,221,245)(H,222,252)(H,223,251)(H,224,257)(H,225,269)(H,226,273)(H,227,263)(H,228,270)(H,229,254)(H,238,239)(H,240,241)(H,242,243)(H4,187,188,194)(H4,189,190,195)(H4,191,192,196)/t93-,94+,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,139-,140-,141-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164194
(CHEMBL3800184)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C183H274N54O44S7/c1-12-97(10)147-180(281)237-66-35-52-138(237)176(277)225-129(80-144(247)248)165(266)222-126(77-139(189)240)162(263)223-128(79-143(245)246)164(265)210-113(47-26-30-61-187)156(257)228-134-89-286-284-87-132(169(270)212-111(45-24-28-59-185)152(253)218-122(72-100-53-55-104(239)56-54-100)167(268)234-145(95(6)7)177(278)215-118(148(191)249)70-98-36-15-13-16-37-98)230-160(261)124(74-102-82-203-109-43-22-20-41-106(102)109)220-153(254)110(44-23-27-58-184)209-161(262)125(75-103-83-198-92-205-103)221-159(260)123(73-101-81-202-108-42-21-19-40-105(101)108)219-154(255)115(49-32-63-200-182(194)195)211-168(269)130(85-238)226-172(273)135-90-287-288-91-136(174(275)235-147)229-155(256)112(46-25-29-60-186)207-151(252)114(48-31-62-199-181(192)193)208-157(258)116(57-67-282-11)213-158(259)121(71-99-38-17-14-18-39-99)206-141(242)84-204-150(251)119(68-93(2)3)216-171(272)131(227-149(250)107(188)76-142(243)244)86-283-285-88-133(231-173(134)274)170(271)214-117(50-33-64-201-183(196)197)179(280)236-65-34-51-137(236)175(276)224-127(78-140(190)241)163(264)217-120(69-94(4)5)166(267)233-146(96(8)9)178(279)232-135/h13-22,36-43,53-56,81-83,92-97,107,110-138,145-147,202-203,238-239H,12,23-35,44-52,57-80,84-91,184-188H2,1-11H3,(H2,189,240)(H2,190,241)(H2,191,249)(H,198,205)(H,204,251)(H,206,242)(H,207,252)(H,208,258)(H,209,262)(H,210,265)(H,211,269)(H,212,270)(H,213,259)(H,214,271)(H,215,278)(H,216,272)(H,217,264)(H,218,253)(H,219,255)(H,220,254)(H,221,260)(H,222,266)(H,223,263)(H,224,276)(H,225,277)(H,226,273)(H,227,250)(H,228,257)(H,229,256)(H,230,261)(H,231,274)(H,232,279)(H,233,267)(H,234,268)(H,235,275)(H,243,244)(H,245,246)(H,247,248)(H4,192,193,199)(H4,194,195,200)(H4,196,197,201)/t97-,107-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,145-,146-,147-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164298
(CHEMBL3800498)Show SMILES [H]C12CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1([H])CSSCC(NC(=O)C(N)CC(O)=O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc3ccccc3)C(=O)NC(CCSC)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC3([H])CSSCC([H])(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC2=O)C(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC([H])(C(C)O)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(CCCCN)C(=O)NC(Cc2c[nH]c4ccccc24)C(=O)NC(CSSCC([H])(NC(=O)C(CCCCN)NC(=O)C(CC(O)=O)NC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C2([H])CCCN2C(=O)C([H])(NC3=O)C(C)CC)C(=O)N1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C187H281N55O46S7/c1-13-98(10)149-184(288)242-67-36-53-140(242)179(283)227-131(81-146(253)254)168(272)224-128(78-141(193)246)165(269)225-130(80-145(251)252)167(271)214-115(48-27-31-62-191)158(262)232-136-90-293-291-88-134(172(276)216-113(46-25-29-60-189)155(259)222-125(73-102-54-56-106(245)57-55-102)170(274)238-147(96(6)7)180(284)228-124(72-101-39-18-15-19-40-101)162(266)219-120(151(195)255)74-103-82-206-110-43-22-20-41-107(103)110)234-163(267)126(75-104-83-207-111-44-23-21-42-108(104)111)223-156(260)112(45-24-28-59-188)213-164(268)127(76-105-84-202-93-209-105)229-182(286)150(99(11)244)240-160(264)117(50-33-64-204-186(198)199)215-171(275)132(86-243)230-175(279)137-91-294-295-92-138(177(281)239-149)233-157(261)114(47-26-30-61-190)211-154(258)116(49-32-63-203-185(196)197)212-159(263)118(58-68-289-12)217-161(265)123(71-100-37-16-14-17-38-100)210-143(248)85-208-153(257)121(69-94(2)3)220-174(278)133(231-152(256)109(192)77-144(249)250)87-290-292-89-135(235-176(136)280)173(277)218-119(51-34-65-205-187(200)201)183(287)241-66-35-52-139(241)178(282)226-129(79-142(194)247)166(270)221-122(70-95(4)5)169(273)237-148(97(8)9)181(285)236-137/h14-23,37-44,54-57,82-84,93-99,109,112-140,147-150,206-207,243-245H,13,24-36,45-53,58-81,85-92,188-192H2,1-12H3,(H2,193,246)(H2,194,247)(H2,195,255)(H,202,209)(H,208,257)(H,210,248)(H,211,258)(H,212,263)(H,213,268)(H,214,271)(H,215,275)(H,216,276)(H,217,265)(H,218,277)(H,219,266)(H,220,278)(H,221,270)(H,222,259)(H,223,260)(H,224,272)(H,225,269)(H,226,282)(H,227,283)(H,228,284)(H,229,286)(H,230,279)(H,231,256)(H,232,262)(H,233,261)(H,234,267)(H,235,280)(H,236,285)(H,237,273)(H,238,274)(H,239,281)(H,240,264)(H,249,250)(H,251,252)(H,253,254)(H4,196,197,203)(H4,198,199,204)(H4,200,201,205)/t98-,99+,109-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,147-,148-,149-,150-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164193
(CHEMBL3798672)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC3=O)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H267N55O45S7/c1-88(2)62-112-143(246)197-78-134(237)200-114(65-94-34-15-12-16-35-94)151(254)207-109(51-61-277-10)149(252)202-107(42-27-56-193-174(185)186)144(247)201-105(40-21-25-54-179)147(250)222-127-83-281-283-85-129-165(268)220-123(79-232)160(263)205-108(43-28-57-194-175(187)188)150(253)229-140(92(9)233)171(274)218-117(68-97-76-191-86-198-97)153(256)203-103(38-19-23-52-177)146(249)213-116(67-96-75-196-102-37-18-17-36-100(96)102)152(255)224-125(161(264)206-104(39-20-24-53-178)145(248)212-115(66-95-47-49-99(234)50-48-95)159(262)228-138(90(5)6)169(272)209-111(141(184)244)64-93-32-13-11-14-33-93)81-279-282-84-128(223-148(251)106(41-22-26-55-180)204-156(259)120(73-136(240)241)215-154(257)118(71-132(182)235)214-157(260)121(74-137(242)243)217-168(271)131-46-31-60-231(131)173(276)122(219-164(127)267)69-98-77-192-87-199-98)166(269)225-126(82-280-278-80-124(163(266)210-112)221-142(245)101(181)70-135(238)239)162(265)208-110(44-29-58-195-176(189)190)172(275)230-59-30-45-130(230)167(270)216-119(72-133(183)236)155(258)211-113(63-89(3)4)158(261)227-139(91(7)8)170(273)226-129/h11-18,32-37,47-50,75-77,86-92,101,103-131,138-140,196,232-234H,19-31,38-46,51-74,78-85,177-181H2,1-10H3,(H2,182,235)(H2,183,236)(H2,184,244)(H,191,198)(H,192,199)(H,197,246)(H,200,237)(H,201,247)(H,202,252)(H,203,256)(H,204,259)(H,205,263)(H,206,264)(H,207,254)(H,208,265)(H,209,272)(H,210,266)(H,211,258)(H,212,248)(H,213,249)(H,214,260)(H,215,257)(H,216,270)(H,217,271)(H,218,274)(H,219,267)(H,220,268)(H,221,245)(H,222,250)(H,223,251)(H,224,255)(H,225,269)(H,226,273)(H,227,261)(H,228,262)(H,229,253)(H,238,239)(H,240,241)(H,242,243)(H4,185,186,193)(H4,187,188,194)(H4,189,190,195)/t92-,101+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,138+,139+,140+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164308
(CHEMBL3798309)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C185H278N54O45S7/c1-13-97(10)147-182(284)239-67-36-53-139(239)177(279)225-130(81-144(249)250)166(268)222-127(78-140(191)243)163(265)223-129(80-143(247)248)165(267)210-114(48-27-31-62-189)155(257)229-135-89-289-287-87-133(170(272)212-112(46-25-29-60-187)152(254)218-123(73-101-54-56-105(242)57-55-101)168(270)235-145(95(6)7)178(280)215-119(149(193)251)71-99-37-16-14-17-38-99)231-161(263)125(75-103-83-205-110-44-23-21-42-107(103)110)220-153(255)111(45-24-28-59-186)209-162(264)126(76-104-84-200-92-206-104)226-180(282)148(98(11)241)237-157(259)116(50-33-64-202-184(196)197)211-169(271)131(85-240)227-173(275)136-90-290-291-91-137(175(277)236-147)230-154(256)113(47-26-30-61-188)207-151(253)115(49-32-63-201-183(194)195)208-156(258)117(58-68-285-12)213-159(261)122(72-100-39-18-15-19-40-100)219-160(262)124(74-102-82-204-109-43-22-20-41-106(102)109)221-158(260)120(69-93(2)3)217-172(274)132(228-150(252)108(190)77-142(245)246)86-286-288-88-134(232-174(135)276)171(273)214-118(51-34-65-203-185(198)199)181(283)238-66-35-52-138(238)176(278)224-128(79-141(192)244)164(266)216-121(70-94(4)5)167(269)234-146(96(8)9)179(281)233-136/h14-23,37-44,54-57,82-84,92-98,108,111-139,145-148,204-205,240-242H,13,24-36,45-53,58-81,85-91,186-190H2,1-12H3,(H2,191,243)(H2,192,244)(H2,193,251)(H,200,206)(H,207,253)(H,208,258)(H,209,264)(H,210,267)(H,211,271)(H,212,272)(H,213,261)(H,214,273)(H,215,280)(H,216,266)(H,217,274)(H,218,254)(H,219,262)(H,220,255)(H,221,260)(H,222,268)(H,223,265)(H,224,278)(H,225,279)(H,226,282)(H,227,275)(H,228,252)(H,229,257)(H,230,256)(H,231,263)(H,232,276)(H,233,281)(H,234,269)(H,235,270)(H,236,277)(H,237,259)(H,245,246)(H,247,248)(H,249,250)(H4,194,195,201)(H4,196,197,202)(H4,198,199,203)/t97-,98+,108-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,145-,146-,147-,148-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164277
(CHEMBL3798058)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C182H272N54O45S7/c1-11-95(8)145-179(281)236-65-34-51-137(236)175(277)223-128(79-143(247)248)165(267)220-125(76-138(188)240)162(264)221-127(78-142(245)246)164(266)209-112(46-25-29-60-186)154(256)227-133-88-286-284-86-131(168(270)211-110(44-23-27-58-184)151(253)217-121(71-99-52-54-103(239)55-53-99)158(260)219-122(72-100-80-201-107-41-20-18-39-104(100)107)159(261)214-117(147(190)249)69-97-35-14-12-15-36-97)229-160(262)123(73-101-81-202-108-42-21-19-40-105(101)108)218-152(254)109(43-22-26-57-183)208-161(263)124(74-102-82-197-91-204-102)224-177(279)146(96(9)238)234-156(258)114(48-31-62-199-181(193)194)210-167(269)129(84-237)225-171(273)134-89-287-288-90-135(173(275)233-145)228-153(255)111(45-24-28-59-185)206-150(252)113(47-30-61-198-180(191)192)207-155(257)115(56-66-282-10)212-157(259)120(70-98-37-16-13-17-38-98)205-140(242)83-203-149(251)118(67-92(2)3)215-170(272)130(226-148(250)106(187)75-141(243)244)85-283-285-87-132(230-172(133)274)169(271)213-116(49-32-63-200-182(195)196)178(280)235-64-33-50-136(235)174(276)222-126(77-139(189)241)163(265)216-119(68-93(4)5)166(268)232-144(94(6)7)176(278)231-134/h12-21,35-42,52-55,80-82,91-96,106,109-137,144-146,201-202,237-239H,11,22-34,43-51,56-79,83-90,183-187H2,1-10H3,(H2,188,240)(H2,189,241)(H2,190,249)(H,197,204)(H,203,251)(H,205,242)(H,206,252)(H,207,257)(H,208,263)(H,209,266)(H,210,269)(H,211,270)(H,212,259)(H,213,271)(H,214,261)(H,215,272)(H,216,265)(H,217,253)(H,218,254)(H,219,260)(H,220,267)(H,221,264)(H,222,276)(H,223,277)(H,224,279)(H,225,273)(H,226,250)(H,227,256)(H,228,255)(H,229,262)(H,230,274)(H,231,278)(H,232,268)(H,233,275)(H,234,258)(H,243,244)(H,245,246)(H,247,248)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/t95-,96+,106-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,144-,145-,146-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164174
(CHEMBL3798639)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C177H274N56O45S7/c1-11-92(8)139-173(278)233-64-33-49-131(233)169(274)220-122(77-137(244)245)159(264)217-119(74-132(183)237)156(261)218-121(76-136(242)243)158(263)206-106(43-23-27-58-181)148(253)225-128-86-284-281-83-125(162(267)209-104(41-21-25-56-179)145(250)215-116(70-96-50-52-99(236)53-51-96)160(265)229-138(91(6)7)170(275)212-112(141(185)246)68-94-34-14-12-15-35-94)227-154(259)117(71-97-78-199-102-39-19-18-38-100(97)102)216-146(251)103(40-20-24-55-178)205-155(260)118(72-98-79-194-88-201-98)221-171(276)140(93(9)235)231-151(256)109(46-30-61-197-176(190)191)208-161(266)123(81-234)222-165(270)127-85-283-285-87-129(167(272)230-139)226-147(252)105(42-22-26-57-180)203-144(249)107(44-28-59-195-174(186)187)204-150(255)110(54-65-279-10)210-153(258)115(69-95-36-16-13-17-37-95)202-134(239)80-200-143(248)113(66-89(2)3)213-164(269)124(223-142(247)101(182)73-135(240)241)82-280-282-84-126(228-166(128)271)163(268)211-111(47-31-62-198-177(192)193)172(277)232-63-32-48-130(232)168(273)219-120(75-133(184)238)157(262)214-114(67-90(4)5)152(257)207-108(149(254)224-127)45-29-60-196-175(188)189/h12-19,34-39,50-53,78-79,88-93,101,103-131,138-140,199,234-236H,11,20-33,40-49,54-77,80-87,178-182H2,1-10H3,(H2,183,237)(H2,184,238)(H2,185,246)(H,194,201)(H,200,248)(H,202,239)(H,203,249)(H,204,255)(H,205,260)(H,206,263)(H,207,257)(H,208,266)(H,209,267)(H,210,258)(H,211,268)(H,212,275)(H,213,269)(H,214,262)(H,215,250)(H,216,251)(H,217,264)(H,218,261)(H,219,273)(H,220,274)(H,221,276)(H,222,270)(H,223,247)(H,224,254)(H,225,253)(H,226,252)(H,227,259)(H,228,271)(H,229,265)(H,230,272)(H,231,256)(H,240,241)(H,242,243)(H,244,245)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/t92-,93+,101-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,138-,139-,140-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164275
(CHEMBL3800461)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C182H272N54O45S7/c1-11-95(8)145-179(281)236-65-34-51-137(236)175(277)223-128(79-143(247)248)165(267)220-125(76-138(188)240)162(264)221-127(78-142(245)246)164(266)209-112(46-25-29-60-186)154(256)227-134-89-287-284-86-131(168(270)211-110(44-23-27-58-184)151(253)217-121(71-99-52-54-103(239)55-53-99)166(268)232-144(94(6)7)176(278)214-117(147(190)249)69-97-35-14-12-15-36-97)229-159(261)122(72-100-80-201-107-41-20-18-39-104(100)107)218-152(254)109(43-22-26-57-183)208-161(263)124(74-102-82-197-91-204-102)224-177(279)146(96(9)238)234-156(258)114(48-31-62-199-181(193)194)210-167(269)129(84-237)225-171(273)133-88-286-288-90-135(173(275)233-145)228-153(255)111(45-24-28-59-185)206-150(252)113(47-30-61-198-180(191)192)207-155(257)115(56-66-282-10)212-158(260)120(70-98-37-16-13-17-38-98)205-140(242)83-203-149(251)118(67-92(2)3)215-170(272)130(226-148(250)106(187)75-141(243)244)85-283-285-87-132(231-172(134)274)169(271)213-116(49-32-63-200-182(195)196)178(280)235-64-33-50-136(235)174(276)222-126(77-139(189)241)163(265)216-119(68-93(4)5)157(259)219-123(160(262)230-133)73-101-81-202-108-42-21-19-40-105(101)108/h12-21,35-42,52-55,80-82,91-96,106,109-137,144-146,201-202,237-239H,11,22-34,43-51,56-79,83-90,183-187H2,1-10H3,(H2,188,240)(H2,189,241)(H2,190,249)(H,197,204)(H,203,251)(H,205,242)(H,206,252)(H,207,257)(H,208,263)(H,209,266)(H,210,269)(H,211,270)(H,212,260)(H,213,271)(H,214,278)(H,215,272)(H,216,265)(H,217,253)(H,218,254)(H,219,259)(H,220,267)(H,221,264)(H,222,276)(H,223,277)(H,224,279)(H,225,273)(H,226,250)(H,227,256)(H,228,255)(H,229,261)(H,230,262)(H,231,274)(H,232,268)(H,233,275)(H,234,258)(H,243,244)(H,245,246)(H,247,248)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/t95-,96+,106-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,144-,145-,146-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164317
(CHEMBL3797735)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C183H276N54O43S7/c1-13-97(10)146-180(280)237-67-36-53-138(237)175(275)222-125(75-103-82-203-110-44-23-21-42-107(103)110)159(259)220-127(78-139(189)241)162(262)221-129(80-143(246)247)164(264)210-114(48-27-31-62-187)155(255)227-134-89-285-283-87-132(168(268)212-112(46-25-29-60-185)152(252)218-123(73-101-54-56-105(240)57-55-101)166(266)233-144(95(6)7)176(276)215-119(148(191)248)71-99-37-16-14-17-38-99)229-160(260)124(74-102-81-202-109-43-22-20-41-106(102)109)219-153(253)111(45-24-28-59-184)209-161(261)126(76-104-83-198-92-205-104)224-178(278)147(98(11)239)235-157(257)116(50-33-64-200-182(194)195)211-167(267)130(85-238)225-171(271)135-90-286-287-91-136(173(273)234-146)228-154(254)113(47-26-30-61-186)207-151(251)115(49-32-63-199-181(192)193)208-156(256)117(58-68-281-12)213-158(258)122(72-100-39-18-15-19-40-100)206-141(243)84-204-150(250)120(69-93(2)3)216-170(270)131(226-149(249)108(188)77-142(244)245)86-282-284-88-133(230-172(134)272)169(269)214-118(51-34-65-201-183(196)197)179(279)236-66-35-52-137(236)174(274)223-128(79-140(190)242)163(263)217-121(70-94(4)5)165(265)232-145(96(8)9)177(277)231-135/h14-23,37-44,54-57,81-83,92-98,108,111-138,144-147,202-203,238-240H,13,24-36,45-53,58-80,84-91,184-188H2,1-12H3,(H2,189,241)(H2,190,242)(H2,191,248)(H,198,205)(H,204,250)(H,206,243)(H,207,251)(H,208,256)(H,209,261)(H,210,264)(H,211,267)(H,212,268)(H,213,258)(H,214,269)(H,215,276)(H,216,270)(H,217,263)(H,218,252)(H,219,253)(H,220,259)(H,221,262)(H,222,275)(H,223,274)(H,224,278)(H,225,271)(H,226,249)(H,227,255)(H,228,254)(H,229,260)(H,230,272)(H,231,277)(H,232,265)(H,233,266)(H,234,273)(H,235,257)(H,244,245)(H,246,247)(H4,192,193,199)(H4,194,195,200)(H4,196,197,201)/t97-,98+,108-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,144-,145-,146-,147-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164369
(CHEMBL3799998)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C183H275N53O44S7/c1-13-97(10)146-180(280)236-67-36-53-138(236)175(275)222-129(80-143(246)247)164(264)219-127(78-139(189)240)162(262)220-128(79-142(244)245)163(263)209-114(48-27-31-62-187)155(255)226-134-89-285-283-87-132(168(268)211-112(46-25-29-60-185)152(252)217-123(73-101-54-56-105(239)57-55-101)166(266)232-144(95(6)7)176(276)214-119(148(190)248)71-99-37-16-14-17-38-99)228-160(260)124(74-102-81-201-109-43-22-20-41-106(102)109)218-153(253)111(45-24-28-59-184)208-161(261)126(76-104-83-197-92-204-104)223-178(278)147(98(11)238)234-157(257)116(50-33-64-199-182(193)194)210-167(267)130(85-237)224-171(271)135-90-286-287-91-136(173(273)233-146)227-154(254)113(47-26-30-61-186)206-151(251)115(49-32-63-198-181(191)192)207-156(256)117(58-68-281-12)212-158(258)122(72-100-39-18-15-19-40-100)205-140(241)84-203-150(250)120(69-93(2)3)215-170(270)131(225-149(249)108(188)77-141(242)243)86-282-284-88-133(229-172(134)272)169(269)213-118(51-34-65-200-183(195)196)179(279)235-66-35-52-137(235)174(274)221-125(75-103-82-202-110-44-23-21-42-107(103)110)159(259)216-121(70-94(4)5)165(265)231-145(96(8)9)177(277)230-135/h14-23,37-44,54-57,81-83,92-98,108,111-138,144-147,201-202,237-239H,13,24-36,45-53,58-80,84-91,184-188H2,1-12H3,(H2,189,240)(H2,190,248)(H,197,204)(H,203,250)(H,205,241)(H,206,251)(H,207,256)(H,208,261)(H,209,263)(H,210,267)(H,211,268)(H,212,258)(H,213,269)(H,214,276)(H,215,270)(H,216,259)(H,217,252)(H,218,253)(H,219,264)(H,220,262)(H,221,274)(H,222,275)(H,223,278)(H,224,271)(H,225,249)(H,226,255)(H,227,254)(H,228,260)(H,229,272)(H,230,277)(H,231,265)(H,232,266)(H,233,273)(H,234,257)(H,242,243)(H,244,245)(H,246,247)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/t97-,98+,108-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,144-,145-,146-,147-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50163921
(CHEMBL3798549)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C172H266N52O42S7/c1-13-91(10)136-169(266)224-63-34-49-128(224)164(261)211-120(75-133(233)234)154(251)208-117(72-129(178)228)151(248)209-119(74-132(231)232)153(250)198-105(44-25-29-58-176)145(242)214-124-83-271-270-82-122(158(255)200-103(42-23-27-56-174)142(239)206-114(69-95-50-52-98(227)53-51-95)156(253)220-134(89(6)7)165(262)203-110(138(180)235)67-93-35-16-14-17-36-93)216-149(246)115(70-96-76-191-101-40-21-20-39-99(96)101)207-143(240)102(41-22-26-55-173)197-150(247)116(71-97-77-187-86-193-97)212-167(264)137(92(11)226)222-147(244)107(46-31-60-189-171(183)184)199-157(254)121(79-225)213-160(257)125-84-272-273-85-126(162(259)221-136)215-144(241)104(43-24-28-57-175)195-141(238)106(45-30-59-188-170(181)182)196-146(243)108(54-64-267-12)201-148(245)113(68-94-37-18-15-19-38-94)194-131(230)78-192-140(237)111(65-87(2)3)204-139(236)100(177)80-268-269-81-123(217-161(124)258)159(256)202-109(47-32-61-190-172(185)186)168(265)223-62-33-48-127(223)163(260)210-118(73-130(179)229)152(249)205-112(66-88(4)5)155(252)219-135(90(8)9)166(263)218-125/h14-21,35-40,50-53,76-77,86-92,100,102-128,134-137,191,225-227H,13,22-34,41-49,54-75,78-85,173-177H2,1-12H3,(H2,178,228)(H2,179,229)(H2,180,235)(H,187,193)(H,192,237)(H,194,230)(H,195,238)(H,196,243)(H,197,247)(H,198,250)(H,199,254)(H,200,255)(H,201,245)(H,202,256)(H,203,262)(H,204,236)(H,205,249)(H,206,239)(H,207,240)(H,208,251)(H,209,248)(H,210,260)(H,211,261)(H,212,264)(H,213,257)(H,214,242)(H,215,241)(H,216,246)(H,217,258)(H,218,263)(H,219,252)(H,220,253)(H,221,259)(H,222,244)(H,231,232)(H,233,234)(H4,181,182,188)(H4,183,184,189)(H4,185,186,190)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,134-,135-,136-,137-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Search and Browse
