Found 218 hits Enz. Inhib. hit(s) with all data for entry = 50045707 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)) | BDBM50077646
(CHEMBL3417041)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)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| | 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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077856
(CHEMBL3416921)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](CCSC)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 | 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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50051073
(CHEMBL3318132)Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077781
(CHEMBL3416942)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C178H269N53O45S6/c1-13-92(10)141-175(276)231-64-34-51-132(231)170(271)217-123(76-138(242)243)159(260)214-120(73-133(184)235)156(257)215-122(75-137(240)241)158(259)203-109(46-24-28-59-182)151(252)221-128-84-280-278-82-126(163(264)206-107(44-22-26-57-180)148(249)212-116(68-96-52-54-101(234)55-53-96)161(262)227-139(90(6)7)171(272)208-113(143(186)244)67-95-35-15-14-16-36-95)223-154(255)118(70-99-77-197-105-42-20-19-41-103(99)105)213-149(250)106(43-21-25-56-179)202-155(256)119(71-100-78-193-87-199-100)218-173(274)142(94(12)233)229-152(253)111(48-31-61-195-177(189)190)205-162(263)124(80-232)219-166(267)129-85-281-282-86-130(168(269)228-141)222-150(251)108(45-23-27-58-181)201-147(248)110(47-30-60-194-176(187)188)204-153(254)117(69-98-39-29-38-97-37-17-18-40-102(97)98)209-144(245)93(11)200-135(237)79-198-146(247)114(65-88(2)3)210-165(266)125(220-145(246)104(183)72-136(238)239)81-277-279-83-127(224-167(128)268)164(265)207-112(49-32-62-196-178(191)192)174(275)230-63-33-50-131(230)169(270)216-121(74-134(185)236)157(258)211-115(66-89(4)5)160(261)226-140(91(8)9)172(273)225-129/h14-20,29,35-42,52-55,77-78,87-94,104,106-132,139-142,197,232-234H,13,21-28,30-34,43-51,56-76,79-86,179-183H2,1-12H3,(H2,184,235)(H2,185,236)(H2,186,244)(H,193,199)(H,198,247)(H,200,237)(H,201,248)(H,202,256)(H,203,259)(H,204,254)(H,205,263)(H,206,264)(H,207,265)(H,208,272)(H,209,245)(H,210,266)(H,211,258)(H,212,249)(H,213,250)(H,214,260)(H,215,257)(H,216,270)(H,217,271)(H,218,274)(H,219,267)(H,220,246)(H,221,252)(H,222,251)(H,223,255)(H,224,268)(H,225,273)(H,226,261)(H,227,262)(H,228,269)(H,229,253)(H,238,239)(H,240,241)(H,242,243)(H4,187,188,194)(H4,189,190,195)(H4,191,192,196)/t92-,93-,94+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,139-,140-,141-,142-/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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Mus musculus) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NaV1.7 in C57BL/6 mouse DRG neurons held at voltage yielding 20% inactivation and depolarized to -10 mV for 40 ms every 10 s by whole-c... |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077780
(CHEMBL3416943)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](CC(C)C)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/C178H275N53O44S7/c1-14-95(12)142-175(275)231-64-35-50-133(231)171(271)219-124(78-139(241)242)160(260)216-121(75-134(184)234)157(257)217-123(77-138(239)240)159(259)204-108(45-26-30-59-182)151(251)222-129-86-280-278-84-127(164(264)206-106(43-24-28-57-180)147(247)213-118(71-98-51-53-101(233)54-52-98)162(262)228-140(93(8)9)172(272)209-113(143(186)243)69-96-36-17-15-18-37-96)224-155(255)119(72-99-79-197-104-41-22-21-40-102(99)104)214-148(248)105(42-23-27-56-179)203-156(256)120(73-100-80-193-89-199-100)215-153(253)115(67-91(4)5)211-149(249)110(47-32-61-195-177(189)190)205-163(263)125(82-232)220-167(267)130-87-281-282-88-131(169(269)229-142)223-150(250)107(44-25-29-58-181)201-146(246)109(46-31-60-194-176(187)188)202-152(252)111(55-65-276-13)207-154(254)117(70-97-38-19-16-20-39-97)200-136(236)81-198-145(245)114(66-90(2)3)210-166(266)126(221-144(244)103(183)74-137(237)238)83-277-279-85-128(225-168(129)268)165(265)208-112(48-33-62-196-178(191)192)174(274)230-63-34-49-132(230)170(270)218-122(76-135(185)235)158(258)212-116(68-92(6)7)161(261)227-141(94(10)11)173(273)226-130/h15-22,36-41,51-54,79-80,89-95,103,105-133,140-142,197,232-233H,14,23-35,42-50,55-78,81-88,179-183H2,1-13H3,(H2,184,234)(H2,185,235)(H2,186,243)(H,193,199)(H,198,245)(H,200,236)(H,201,246)(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,211,249)(H,212,258)(H,213,247)(H,214,248)(H,215,253)(H,216,260)(H,217,257)(H,218,270)(H,219,271)(H,220,267)(H,221,244)(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,237,238)(H,239,240)(H,241,242)(H4,187,188,194)(H4,189,190,195)(H4,191,192,196)/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 | 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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077803
(CHEMBL3416933)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C180H277N53O45S6/c1-12-95(10)143-177(278)233-66-36-53-134(233)172(273)219-125(79-140(244)245)161(262)216-122(76-135(186)237)158(259)217-124(78-139(242)243)160(261)205-110(48-27-31-61-184)152(253)223-130-87-282-280-85-128(165(266)208-108(46-25-29-59-182)149(250)213-119(72-100-54-56-103(236)57-55-100)163(264)229-141(93(6)7)173(274)210-114(145(188)246)69-97-37-16-13-17-38-97)225-156(257)120(73-101-80-199-106-44-23-22-43-104(101)106)215-150(251)107(45-24-28-58-181)204-157(258)121(74-102-81-195-90-201-102)220-175(276)144(96(11)235)231-153(254)112(50-33-63-197-179(191)192)207-164(265)126(83-234)221-168(269)131-88-283-284-89-132(170(271)230-143)224-151(252)109(47-26-30-60-183)203-148(249)111(49-32-62-196-178(189)190)206-155(256)118(71-99-41-20-15-21-42-99)214-154(255)117(70-98-39-18-14-19-40-98)202-137(239)82-200-147(248)115(67-91(2)3)211-167(268)127(222-146(247)105(185)75-138(240)241)84-279-281-86-129(226-169(130)270)166(267)209-113(51-34-64-198-180(193)194)176(277)232-65-35-52-133(232)171(272)218-123(77-136(187)238)159(260)212-116(68-92(4)5)162(263)228-142(94(8)9)174(275)227-131/h13-14,16-19,22-23,37-40,43-44,54-57,80-81,90-96,99,105,107-134,141-144,199,234-236H,12,15,20-21,24-36,41-42,45-53,58-79,82-89,181-185H2,1-11H3,(H2,186,237)(H2,187,238)(H2,188,246)(H,195,201)(H,200,248)(H,202,239)(H,203,249)(H,204,258)(H,205,261)(H,206,256)(H,207,265)(H,208,266)(H,209,267)(H,210,274)(H,211,268)(H,212,260)(H,213,250)(H,214,255)(H,215,251)(H,216,262)(H,217,259)(H,218,272)(H,219,273)(H,220,276)(H,221,269)(H,222,247)(H,223,253)(H,224,252)(H,225,257)(H,226,270)(H,227,275)(H,228,263)(H,229,264)(H,230,271)(H,231,254)(H,240,241)(H,242,243)(H,244,245)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t95-,96+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,141-,142-,143-,144-/m0/s1 | PDB
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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077833
(CHEMBL3416926)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H277N53O45S7/c1-13-92(10)139-173(274)229-63-34-49-130(229)168(269)215-121(76-136(240)241)157(258)212-118(73-131(182)233)154(255)213-120(75-135(238)239)156(257)202-106(44-25-29-58-180)148(249)219-126-84-279-277-82-124(161(262)204-104(42-23-27-56-178)145(246)210-115(69-96-50-52-99(232)53-51-96)159(260)225-137(90(6)7)169(270)207-111(141(184)242)67-94-35-16-14-17-36-94)221-152(253)116(70-97-77-195-102-40-21-20-39-100(97)102)211-146(247)103(41-22-26-55-177)201-153(254)117(71-98-78-191-87-197-98)216-171(272)140(93(11)231)227-150(251)108(46-31-60-193-175(187)188)203-160(261)122(80-230)217-164(265)127-85-280-281-86-128(166(267)226-139)220-147(248)105(43-24-28-57-179)199-144(245)107(45-30-59-192-174(185)186)200-149(250)109(54-64-275-12)205-151(252)114(68-95-37-18-15-19-38-95)198-133(235)79-196-143(244)112(65-88(2)3)208-163(264)123(218-142(243)101(181)72-134(236)237)81-276-278-83-125(222-165(126)266)162(263)206-110(47-32-61-194-176(189)190)172(273)228-62-33-48-129(228)167(268)214-119(74-132(183)234)155(256)209-113(66-89(4)5)158(259)224-138(91(8)9)170(271)223-127/h14,16-17,20-21,35-36,39-40,50-53,77-78,87-93,95,101,103-130,137-140,195,230-232H,13,15,18-19,22-34,37-38,41-49,54-76,79-86,177-181H2,1-12H3,(H2,182,233)(H2,183,234)(H2,184,242)(H,191,197)(H,196,244)(H,198,235)(H,199,245)(H,200,250)(H,201,254)(H,202,257)(H,203,261)(H,204,262)(H,205,252)(H,206,263)(H,207,270)(H,208,264)(H,209,256)(H,210,246)(H,211,247)(H,212,258)(H,213,255)(H,214,268)(H,215,269)(H,216,272)(H,217,265)(H,218,243)(H,219,249)(H,220,248)(H,221,253)(H,222,266)(H,223,271)(H,224,259)(H,225,260)(H,226,267)(H,227,251)(H,236,237)(H,238,239)(H,240,241)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t92-,93+,101-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,137-,138-,139-,140-/m0/s1 | PDB
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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077715
(CHEMBL3417038)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)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 | 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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077777
(CHEMBL3416946)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C178H271N55O44S7/c1-12-94(10)142-175(277)233-62-33-48-133(233)171(273)221-124(76-139(243)244)160(262)218-121(73-134(184)236)157(259)219-123(75-138(241)242)159(261)206-108(43-24-28-57-182)151(253)224-129-85-282-280-83-127(164(266)208-106(41-22-26-55-180)147(249)214-117(68-97-49-51-101(235)52-50-97)162(264)230-140(92(6)7)172(274)211-113(143(186)245)66-95-34-15-13-16-35-95)226-154(256)118(69-98-77-198-104-39-20-19-38-102(98)104)215-148(250)105(40-21-25-54-179)205-155(257)119(70-99-78-193-88-200-99)217-156(258)120(71-100-79-194-89-201-100)216-149(251)110(45-30-59-196-177(189)190)207-163(265)125(81-234)222-167(269)130-86-283-284-87-131(169(271)231-142)225-150(252)107(42-23-27-56-181)203-146(248)109(44-29-58-195-176(187)188)204-152(254)111(53-63-278-11)209-153(255)116(67-96-36-17-14-18-37-96)202-136(238)80-199-145(247)114(64-90(2)3)212-166(268)126(223-144(246)103(183)72-137(239)240)82-279-281-84-128(227-168(129)270)165(267)210-112(46-31-60-197-178(191)192)174(276)232-61-32-47-132(232)170(272)220-122(74-135(185)237)158(260)213-115(65-91(4)5)161(263)229-141(93(8)9)173(275)228-130/h13-20,34-39,49-52,77-79,88-94,103,105-133,140-142,198,234-235H,12,21-33,40-48,53-76,80-87,179-183H2,1-11H3,(H2,184,236)(H2,185,237)(H2,186,245)(H,193,200)(H,194,201)(H,199,247)(H,202,238)(H,203,248)(H,204,254)(H,205,257)(H,206,261)(H,207,265)(H,208,266)(H,209,255)(H,210,267)(H,211,274)(H,212,268)(H,213,260)(H,214,249)(H,215,250)(H,216,251)(H,217,258)(H,218,262)(H,219,259)(H,220,272)(H,221,273)(H,222,269)(H,223,246)(H,224,253)(H,225,252)(H,226,256)(H,227,270)(H,228,275)(H,229,263)(H,230,264)(H,231,271)(H,239,240)(H,241,242)(H,243,244)(H4,187,188,195)(H4,189,190,196)(H4,191,192,197)/t94-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,140-,141-,142-/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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(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 | 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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077854
(CHEMBL3416923)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](CC(C)C)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 | 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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077832
(CHEMBL3416927)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](C3CCCC3)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/C174H273N53O45S7/c1-13-90(10)136-171(272)227-62-33-48-127(227)165(266)212-118(74-133(238)239)154(255)209-115(71-128(180)231)151(252)210-117(73-132(236)237)153(254)199-104(43-24-28-57-178)146(247)216-123-82-277-275-80-121(158(259)201-102(41-22-26-55-176)143(244)207-112(67-93-49-51-97(230)52-50-93)156(257)223-134(88(6)7)166(267)204-109(139(182)240)66-92-34-15-14-16-35-92)218-149(250)113(68-95-75-193-100-39-20-19-38-98(95)100)208-144(245)101(40-21-25-54-175)198-150(251)114(69-96-76-189-85-195-96)213-168(269)137(91(11)229)225-148(249)106(45-30-59-191-173(185)186)200-157(258)119(78-228)214-161(262)124-83-278-279-84-125(163(264)224-136)217-145(246)103(42-23-27-56-177)196-142(243)105(44-29-58-190-172(183)184)197-147(248)107(53-63-273-12)202-169(270)138(94-36-17-18-37-94)221-130(233)77-194-141(242)110(64-86(2)3)205-160(261)120(215-140(241)99(179)70-131(234)235)79-274-276-81-122(219-162(123)263)159(260)203-108(46-31-60-192-174(187)188)170(271)226-61-32-47-126(226)164(265)211-116(72-129(181)232)152(253)206-111(65-87(4)5)155(256)222-135(89(8)9)167(268)220-124/h14-16,19-20,34-35,38-39,49-52,75-76,85-91,94,99,101-127,134-138,193,228-230H,13,17-18,21-33,36-37,40-48,53-74,77-84,175-179H2,1-12H3,(H2,180,231)(H2,181,232)(H2,182,240)(H,189,195)(H,194,242)(H,196,243)(H,197,248)(H,198,251)(H,199,254)(H,200,258)(H,201,259)(H,202,270)(H,203,260)(H,204,267)(H,205,261)(H,206,253)(H,207,244)(H,208,245)(H,209,255)(H,210,252)(H,211,265)(H,212,266)(H,213,269)(H,214,262)(H,215,241)(H,216,247)(H,217,246)(H,218,250)(H,219,263)(H,220,268)(H,221,233)(H,222,256)(H,223,257)(H,224,264)(H,225,249)(H,234,235)(H,236,237)(H,238,239)(H4,183,184,190)(H4,185,186,191)(H4,187,188,192)/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-,134-,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 | 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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077815
(CHEMBL3416928)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](C3CCCCC3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C175H275N53O45S7/c1-13-91(10)137-172(273)228-63-34-49-128(228)166(267)213-119(75-134(239)240)155(256)210-116(72-129(181)232)152(253)211-118(74-133(237)238)154(255)200-105(44-25-29-58-179)147(248)217-124-83-278-276-81-122(159(260)202-103(42-23-27-56-177)144(245)208-113(68-94-50-52-98(231)53-51-94)157(258)224-135(89(6)7)167(268)205-110(140(183)241)67-93-35-16-14-17-36-93)219-150(251)114(69-96-76-194-101-40-21-20-39-99(96)101)209-145(246)102(41-22-26-55-176)199-151(252)115(70-97-77-190-86-196-97)214-169(270)138(92(11)230)226-149(250)107(46-31-60-192-174(186)187)201-158(259)120(79-229)215-162(263)125-84-279-280-85-126(164(265)225-137)218-146(247)104(43-24-28-57-178)197-143(244)106(45-30-59-191-173(184)185)198-148(249)108(54-64-274-12)203-170(271)139(95-37-18-15-19-38-95)222-131(234)78-195-142(243)111(65-87(2)3)206-161(262)121(216-141(242)100(180)71-132(235)236)80-275-277-82-123(220-163(124)264)160(261)204-109(47-32-61-193-175(188)189)171(272)227-62-33-48-127(227)165(266)212-117(73-130(182)233)153(254)207-112(66-88(4)5)156(257)223-136(90(8)9)168(269)221-125/h14,16-17,20-21,35-36,39-40,50-53,76-77,86-92,95,100,102-128,135-139,194,229-231H,13,15,18-19,22-34,37-38,41-49,54-75,78-85,176-180H2,1-12H3,(H2,181,232)(H2,182,233)(H2,183,241)(H,190,196)(H,195,243)(H,197,244)(H,198,249)(H,199,252)(H,200,255)(H,201,259)(H,202,260)(H,203,271)(H,204,261)(H,205,268)(H,206,262)(H,207,254)(H,208,245)(H,209,246)(H,210,256)(H,211,253)(H,212,266)(H,213,267)(H,214,270)(H,215,263)(H,216,242)(H,217,248)(H,218,247)(H,219,251)(H,220,264)(H,221,269)(H,222,234)(H,223,257)(H,224,258)(H,225,265)(H,226,250)(H,235,236)(H,237,238)(H,239,240)(H4,184,185,191)(H4,186,187,192)(H4,188,189,193)/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-,135-,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 | 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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Mus musculus) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NaV1.7 in C57BL/6 mouse DRG neurons at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077665
(CHEMBL3417040)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](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/C171H269N55O45S6/c1-15-87(12)133-167(271)226-58-32-45-124(226)162(266)212-115(70-130(237)238)151(255)209-112(67-125(176)230)148(252)210-114(69-129(235)236)150(254)197-100(39-23-26-52-174)143(247)216-120-78-275-273-76-118(155(259)201-98(37-21-24-50-172)140(244)207-109(63-91-46-48-94(229)49-47-91)153(257)222-131(85(8)9)163(267)203-105(135(178)239)62-90-33-17-16-18-34-90)218-146(250)110(64-92-71-192-97-36-20-19-35-95(92)97)208-141(245)102(41-28-54-189-169(181)182)199-147(251)111(65-93-72-187-81-194-93)213-165(269)134(89(14)228)224-144(248)103(42-29-55-190-170(183)184)200-154(258)116(74-227)214-158(262)121-79-276-277-80-122(160(264)223-133)217-142(246)99(38-22-25-51-173)196-139(243)101(40-27-53-188-168(179)180)198-145(249)107(60-83(4)5)204-136(240)88(13)195-127(232)73-193-138(242)106(59-82(2)3)205-157(261)117(215-137(241)96(175)66-128(233)234)75-272-274-77-119(219-159(120)263)156(260)202-104(43-30-56-191-171(185)186)166(270)225-57-31-44-123(225)161(265)211-113(68-126(177)231)149(253)206-108(61-84(6)7)152(256)221-132(86(10)11)164(268)220-121/h16-20,33-36,46-49,71-72,81-89,96,98-124,131-134,192,227-229H,15,21-32,37-45,50-70,73-80,172-175H2,1-14H3,(H2,176,230)(H2,177,231)(H2,178,239)(H,187,194)(H,193,242)(H,195,232)(H,196,243)(H,197,254)(H,198,249)(H,199,251)(H,200,258)(H,201,259)(H,202,260)(H,203,267)(H,204,240)(H,205,261)(H,206,253)(H,207,244)(H,208,245)(H,209,255)(H,210,252)(H,211,265)(H,212,266)(H,213,269)(H,214,262)(H,215,241)(H,216,247)(H,217,246)(H,218,250)(H,219,263)(H,220,268)(H,221,256)(H,222,257)(H,223,264)(H,224,248)(H,233,234)(H,235,236)(H,237,238)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89+,96-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,131-,132-,133-,134-/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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077805
(CHEMBL3416931)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C177H273N53O45S6/c1-13-15-42-104-145(246)201-109(48-32-61-193-175(186)187)146(247)200-107(46-26-30-59-180)149(250)221-129-87-281-280-86-128-165(266)218-123(81-231)161(262)205-110(49-33-62-194-176(188)189)151(252)228-141(94(12)232)172(273)217-118(72-99-79-192-88-198-99)154(255)203-105(44-24-28-57-178)148(249)212-117(71-98-78-196-103-43-23-22-41-101(98)103)153(254)222-125(162(263)206-106(45-25-29-58-179)147(248)211-116(70-97-53-55-100(233)56-54-97)160(261)226-138(91(7)8)170(271)208-112(142(185)243)68-95-37-18-16-19-38-95)83-277-279-85-127(220-150(251)108(47-27-31-60-181)204-157(258)121(76-136(239)240)214-155(256)119(74-132(183)234)213-158(259)122(77-137(241)242)216-169(270)131-52-36-65-230(131)174(275)140(93(11)14-2)227-167(129)268)166(267)223-126(84-278-276-82-124(219-143(244)102(182)73-135(237)238)164(265)209-113(66-89(3)4)144(245)197-80-134(236)199-115(152(253)202-104)69-96-39-20-17-21-40-96)163(264)207-111(50-34-63-195-177(190)191)173(274)229-64-35-51-130(229)168(269)215-120(75-133(184)235)156(257)210-114(67-90(5)6)159(260)225-139(92(9)10)171(272)224-128/h16-23,37-41,43,53-56,78-79,88-94,102,104-131,138-141,196,231-233H,13-15,24-36,42,44-52,57-77,80-87,178-182H2,1-12H3,(H2,183,234)(H2,184,235)(H2,185,243)(H,192,198)(H,197,245)(H,199,236)(H,200,247)(H,201,246)(H,202,253)(H,203,255)(H,204,258)(H,205,262)(H,206,263)(H,207,264)(H,208,271)(H,209,265)(H,210,257)(H,211,248)(H,212,249)(H,213,259)(H,214,256)(H,215,269)(H,216,270)(H,217,273)(H,218,266)(H,219,244)(H,220,251)(H,221,250)(H,222,254)(H,223,267)(H,224,272)(H,225,260)(H,226,261)(H,227,268)(H,228,252)(H,237,238)(H,239,240)(H,241,242)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,94+,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,138-,139-,140-,141-/m0/s1 | PDB
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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077860
(CHEMBL3416917)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)NCC(=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 | 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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077855
(CHEMBL3416922)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@]([H])([C@@H](C)CC)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 | 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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077786
(CHEMBL3416938)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C171H269N53O45S6/c1-14-16-38-99-140(241)196-104(44-30-57-187-169(180)181)141(242)195-102(42-24-28-55-174)144(245)215-123-82-275-274-81-122-159(260)212-117(76-225)155(256)199-105(45-31-58-188-170(182)183)146(247)222-135(90(13)226)166(267)211-112(67-94-74-186-83-192-94)148(249)197-100(40-22-26-53-172)143(244)206-111(66-93-73-190-98-39-21-20-37-96(93)98)147(248)216-119(156(257)200-101(41-23-27-54-173)142(243)205-110(65-92-49-51-95(227)52-50-92)154(255)220-132(86(7)8)164(265)202-107(136(179)237)64-91-35-18-17-19-36-91)78-271-273-80-121(214-145(246)103(43-25-29-56-175)198-151(252)115(71-130(233)234)208-149(250)113(69-126(177)228)207-152(253)116(72-131(235)236)210-163(264)125-48-34-61-224(125)168(269)134(88(11)15-2)221-161(123)262)160(261)217-120(79-272-270-77-118(213-138(239)97(176)68-129(231)232)158(259)203-108(62-84(3)4)139(240)191-75-128(230)193-89(12)137(238)194-99)157(258)201-106(46-32-59-189-171(184)185)167(268)223-60-33-47-124(223)162(263)209-114(70-127(178)229)150(251)204-109(63-85(5)6)153(254)219-133(87(9)10)165(266)218-122/h17-21,35-37,39,49-52,73-74,83-90,97,99-125,132-135,190,225-227H,14-16,22-34,38,40-48,53-72,75-82,172-176H2,1-13H3,(H2,177,228)(H2,178,229)(H2,179,237)(H,186,192)(H,191,240)(H,193,230)(H,194,238)(H,195,242)(H,196,241)(H,197,249)(H,198,252)(H,199,256)(H,200,257)(H,201,258)(H,202,265)(H,203,259)(H,204,251)(H,205,243)(H,206,244)(H,207,253)(H,208,250)(H,209,263)(H,210,264)(H,211,267)(H,212,260)(H,213,239)(H,214,246)(H,215,245)(H,216,248)(H,217,261)(H,218,266)(H,219,254)(H,220,255)(H,221,262)(H,222,247)(H,231,232)(H,233,234)(H,235,236)(H4,180,181,187)(H4,182,183,188)(H4,184,185,189)/t88-,89-,90+,97-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,132-,133-,134-,135-/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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077714
(CHEMBL3417039)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](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| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077784
(CHEMBL3416940)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C174H267N53O45S6/c1-13-90(10)137-171(272)227-62-34-49-128(227)166(267)213-119(74-134(238)239)155(256)210-116(71-129(180)231)152(253)211-118(73-133(236)237)154(255)199-105(44-25-29-57-178)147(248)217-124-82-276-274-80-122(159(260)202-103(42-23-27-55-176)144(245)208-113(67-95-50-52-98(230)53-51-95)157(258)223-135(88(6)7)167(268)204-109(139(182)240)65-93-35-16-14-17-36-93)219-150(251)114(68-96-75-193-101-40-21-20-39-99(96)101)209-145(246)102(41-22-26-54-175)198-151(252)115(69-97-76-189-85-195-97)214-169(270)138(92(12)229)225-148(249)107(46-31-59-191-173(185)186)201-158(259)120(78-228)215-162(263)125-83-277-278-84-126(164(265)224-137)218-146(247)104(43-24-28-56-177)197-143(244)106(45-30-58-190-172(183)184)200-149(250)112(66-94-37-18-15-19-38-94)205-140(241)91(11)196-131(233)77-194-142(243)110(63-86(2)3)206-161(262)121(216-141(242)100(179)70-132(234)235)79-273-275-81-123(220-163(124)264)160(261)203-108(47-32-60-192-174(187)188)170(271)226-61-33-48-127(226)165(266)212-117(72-130(181)232)153(254)207-111(64-87(4)5)156(257)222-136(89(8)9)168(269)221-125/h14-21,35-40,50-53,75-76,85-92,100,102-128,135-138,193,228-230H,13,22-34,41-49,54-74,77-84,175-179H2,1-12H3,(H2,180,231)(H2,181,232)(H2,182,240)(H,189,195)(H,194,243)(H,196,233)(H,197,244)(H,198,252)(H,199,255)(H,200,250)(H,201,259)(H,202,260)(H,203,261)(H,204,268)(H,205,241)(H,206,262)(H,207,254)(H,208,245)(H,209,246)(H,210,256)(H,211,253)(H,212,266)(H,213,267)(H,214,270)(H,215,263)(H,216,242)(H,217,248)(H,218,247)(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)(H4,183,184,190)(H4,185,186,191)(H4,187,188,192)/t90-,91-,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-,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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077464
(CHEMBL3416893)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 assessed as reduction in peak inward current at -10 mV by manual whole cell patch clamp electrophysiology method |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077802
(CHEMBL3416934)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C180H271N53O45S6/c1-12-95(10)143-177(278)233-66-36-53-134(233)172(273)219-125(79-140(244)245)161(262)216-122(76-135(186)237)158(259)217-124(78-139(242)243)160(261)205-110(48-27-31-61-184)152(253)223-130-87-282-280-85-128(165(266)208-108(46-25-29-59-182)149(250)213-119(72-100-54-56-103(236)57-55-100)163(264)229-141(93(6)7)173(274)210-114(145(188)246)69-97-37-16-13-17-38-97)225-156(257)120(73-101-80-199-106-44-23-22-43-104(101)106)215-150(251)107(45-24-28-58-181)204-157(258)121(74-102-81-195-90-201-102)220-175(276)144(96(11)235)231-153(254)112(50-33-63-197-179(191)192)207-164(265)126(83-234)221-168(269)131-88-283-284-89-132(170(271)230-143)224-151(252)109(47-26-30-60-183)203-148(249)111(49-32-62-196-178(189)190)206-155(256)118(71-99-41-20-15-21-42-99)214-154(255)117(70-98-39-18-14-19-40-98)202-137(239)82-200-147(248)115(67-91(2)3)211-167(268)127(222-146(247)105(185)75-138(240)241)84-279-281-86-129(226-169(130)270)166(267)209-113(51-34-64-198-180(193)194)176(277)232-65-35-52-133(232)171(272)218-123(77-136(187)238)159(260)212-116(68-92(4)5)162(263)228-142(94(8)9)174(275)227-131/h13-23,37-44,54-57,80-81,90-96,105,107-134,141-144,199,234-236H,12,24-36,45-53,58-79,82-89,181-185H2,1-11H3,(H2,186,237)(H2,187,238)(H2,188,246)(H,195,201)(H,200,248)(H,202,239)(H,203,249)(H,204,258)(H,205,261)(H,206,256)(H,207,265)(H,208,266)(H,209,267)(H,210,274)(H,211,268)(H,212,260)(H,213,250)(H,214,255)(H,215,251)(H,216,262)(H,217,259)(H,218,272)(H,219,273)(H,220,276)(H,221,269)(H,222,247)(H,223,253)(H,224,252)(H,225,257)(H,226,270)(H,227,275)(H,228,263)(H,229,264)(H,230,271)(H,231,254)(H,240,241)(H,242,243)(H,244,245)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t95-,96+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,141-,142-,143-,144-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077857
(CHEMBL3416920)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Homo sapiens (Human)) | BDBM50077469
(CHEMBL3416888)Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@H](CC(N)=O)NC(=O)[C@]([H])(CSSC[C@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)CSSC[C@]([H])(NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](CCCNC(N)=C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 3 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.3 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077800
(CHEMBL3416936)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C182H272N54O45S6/c1-12-95(10)145-179(281)236-65-35-52-136(236)174(276)222-127(78-142(247)248)163(265)219-124(75-137(188)240)160(262)220-126(77-141(245)246)162(264)208-112(47-26-30-60-186)154(256)226-132-87-285-283-85-130(167(269)211-110(45-24-28-58-184)151(253)216-120(70-99-53-55-103(239)56-54-99)165(267)232-143(93(6)7)175(277)213-116(147(190)249)68-97-36-15-13-16-37-97)228-158(260)122(72-101-80-202-108-43-22-20-41-105(101)108)217-152(254)109(44-23-27-57-183)207-159(261)123(73-102-81-197-90-204-102)223-177(279)146(96(11)238)234-155(257)114(49-32-62-199-181(193)194)210-166(268)128(83-237)224-170(272)133-88-286-287-89-134(172(274)233-145)227-153(255)111(46-25-29-59-185)206-150(252)113(48-31-61-198-180(191)192)209-157(259)121(71-100-79-201-107-42-21-19-40-104(100)107)218-156(258)119(69-98-38-17-14-18-39-98)205-139(242)82-203-149(251)117(66-91(2)3)214-169(271)129(225-148(250)106(187)74-140(243)244)84-282-284-86-131(229-171(132)273)168(270)212-115(50-33-63-200-182(195)196)178(280)235-64-34-51-135(235)173(275)221-125(76-138(189)241)161(263)215-118(67-92(4)5)164(266)231-144(94(8)9)176(278)230-133/h13-22,36-43,53-56,79-81,90-96,106,109-136,143-146,201-202,237-239H,12,23-35,44-52,57-78,82-89,183-187H2,1-11H3,(H2,188,240)(H2,189,241)(H2,190,249)(H,197,204)(H,203,251)(H,205,242)(H,206,252)(H,207,261)(H,208,264)(H,209,259)(H,210,268)(H,211,269)(H,212,270)(H,213,277)(H,214,271)(H,215,263)(H,216,253)(H,217,254)(H,218,258)(H,219,265)(H,220,262)(H,221,275)(H,222,276)(H,223,279)(H,224,272)(H,225,250)(H,226,256)(H,227,255)(H,228,260)(H,229,273)(H,230,278)(H,231,266)(H,232,267)(H,233,274)(H,234,257)(H,243,244)(H,245,246)(H,247,248)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/t95-,96+,106-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,143-,144-,145-,146-/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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Mus musculus) | BDBM50077464
(CHEMBL3416893)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NaV1.7 in C57BL/6 mouse DRG neurons at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077804
(CHEMBL3416932)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C177H273N53O45S6/c1-14-93(12)140-174(275)230-63-35-50-131(230)169(270)216-122(76-137(241)242)158(259)213-119(73-132(183)234)155(256)214-121(75-136(239)240)157(258)202-107(45-26-30-58-181)149(250)220-127-84-279-277-82-125(162(263)205-105(43-24-28-56-179)146(247)211-116(69-97-51-53-100(233)54-52-97)160(261)226-138(91(8)9)170(271)207-111(142(185)243)67-95-36-17-15-18-37-95)222-153(254)117(70-98-77-196-103-41-22-21-40-101(98)103)212-147(248)104(42-23-27-55-178)201-154(255)118(71-99-78-192-87-198-99)217-172(273)141(94(13)232)228-150(251)109(47-32-60-194-176(188)189)204-161(262)123(80-231)218-165(266)128-85-280-281-86-129(167(268)227-140)221-148(249)106(44-25-29-57-180)200-145(246)108(46-31-59-193-175(186)187)203-151(252)113(65-89(4)5)209-152(253)115(68-96-38-19-16-20-39-96)199-134(236)79-197-144(245)112(64-88(2)3)208-164(265)124(219-143(244)102(182)72-135(237)238)81-276-278-83-126(223-166(127)267)163(264)206-110(48-33-61-195-177(190)191)173(274)229-62-34-49-130(229)168(269)215-120(74-133(184)235)156(257)210-114(66-90(6)7)159(260)225-139(92(10)11)171(272)224-128/h15-22,36-41,51-54,77-78,87-94,102,104-131,138-141,196,231-233H,14,23-35,42-50,55-76,79-86,178-182H2,1-13H3,(H2,183,234)(H2,184,235)(H2,185,243)(H,192,198)(H,197,245)(H,199,236)(H,200,246)(H,201,255)(H,202,258)(H,203,252)(H,204,262)(H,205,263)(H,206,264)(H,207,271)(H,208,265)(H,209,253)(H,210,257)(H,211,247)(H,212,248)(H,213,259)(H,214,256)(H,215,269)(H,216,270)(H,217,273)(H,218,266)(H,219,244)(H,220,250)(H,221,249)(H,222,254)(H,223,267)(H,224,272)(H,225,260)(H,226,261)(H,227,268)(H,228,251)(H,237,238)(H,239,240)(H,241,242)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,94+,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,138-,139-,140-,141-/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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077834
(CHEMBL3416925)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=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)C(C)(C)C |r| Show InChI InChI=1S/C173H273N53O45S7/c1-16-89(10)134-169(271)226-61-34-47-125(226)163(265)211-116(73-131(237)238)152(254)208-113(70-126(179)230)149(251)209-115(72-130(235)236)151(253)198-102(42-25-29-56-177)144(246)215-121-81-276-274-79-119(156(258)200-100(40-23-27-54-175)141(243)206-110(66-92-48-50-95(229)51-49-92)154(256)222-132(87(6)7)164(266)203-107(137(181)239)65-91-35-18-17-19-36-91)217-147(249)111(67-93-74-192-98-38-21-20-37-96(93)98)207-142(244)99(39-22-26-53-174)197-148(250)112(68-94-75-188-84-194-94)212-166(268)135(90(11)228)224-146(248)104(44-31-58-190-171(184)185)199-155(257)117(77-227)213-159(261)122-82-277-278-83-123(161(263)223-134)216-143(245)101(41-24-28-55-176)195-140(242)103(43-30-57-189-170(182)183)196-145(247)105(52-62-272-15)201-167(269)136(173(12,13)14)220-128(232)76-193-139(241)108(63-85(2)3)204-158(260)118(214-138(240)97(178)69-129(233)234)78-273-275-80-120(218-160(121)262)157(259)202-106(45-32-59-191-172(186)187)168(270)225-60-33-46-124(225)162(264)210-114(71-127(180)231)150(252)205-109(64-86(4)5)153(255)221-133(88(8)9)165(267)219-122/h17-21,35-38,48-51,74-75,84-90,97,99-125,132-136,192,227-229H,16,22-34,39-47,52-73,76-83,174-178H2,1-15H3,(H2,179,230)(H2,180,231)(H2,181,239)(H,188,194)(H,193,241)(H,195,242)(H,196,247)(H,197,250)(H,198,253)(H,199,257)(H,200,258)(H,201,269)(H,202,259)(H,203,266)(H,204,260)(H,205,252)(H,206,243)(H,207,244)(H,208,254)(H,209,251)(H,210,264)(H,211,265)(H,212,268)(H,213,261)(H,214,240)(H,215,246)(H,216,245)(H,217,249)(H,218,262)(H,219,267)(H,220,232)(H,221,255)(H,222,256)(H,223,263)(H,224,248)(H,233,234)(H,235,236)(H,237,238)(H4,182,183,189)(H4,184,185,190)(H4,186,187,191)/t89-,90+,97-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,132-,133-,134-,135-,136+/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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077835
(CHEMBL3416924)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)[C@@H](CC(C)C)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/C174H275N53O45S7/c1-16-91(12)137-171(272)227-61-34-47-127(227)165(266)212-118(74-134(238)239)154(255)209-115(71-129(180)231)151(252)210-117(73-133(236)237)153(254)199-104(42-25-29-56-178)146(247)216-123-82-277-275-80-121(158(259)201-102(40-23-27-54-176)143(244)207-112(67-94-48-50-97(230)51-49-94)156(257)222-135(89(8)9)167(268)204-109(139(182)240)66-93-35-18-17-19-36-93)218-149(250)113(68-95-75-193-100-38-21-20-37-98(95)100)208-144(245)101(39-22-26-53-175)198-150(251)114(69-96-76-189-85-195-96)213-169(270)138(92(13)229)224-148(249)106(44-31-58-191-173(185)186)200-157(258)119(78-228)214-161(262)124-83-278-279-84-125(163(264)223-137)217-145(246)103(41-24-28-55-177)196-142(243)105(43-30-57-190-172(183)184)197-147(248)107(52-62-273-15)202-166(267)128(65-88(6)7)225(14)131(233)77-194-141(242)110(63-86(2)3)205-160(261)120(215-140(241)99(179)70-132(234)235)79-274-276-81-122(219-162(123)263)159(260)203-108(45-32-59-192-174(187)188)170(271)226-60-33-46-126(226)164(265)211-116(72-130(181)232)152(253)206-111(64-87(4)5)155(256)221-136(90(10)11)168(269)220-124/h17-21,35-38,48-51,75-76,85-92,99,101-128,135-138,193,228-230H,16,22-34,39-47,52-74,77-84,175-179H2,1-15H3,(H2,180,231)(H2,181,232)(H2,182,240)(H,189,195)(H,194,242)(H,196,243)(H,197,248)(H,198,251)(H,199,254)(H,200,258)(H,201,259)(H,202,267)(H,203,260)(H,204,268)(H,205,261)(H,206,253)(H,207,244)(H,208,245)(H,209,255)(H,210,252)(H,211,265)(H,212,266)(H,213,270)(H,214,262)(H,215,241)(H,216,247)(H,217,246)(H,218,250)(H,219,263)(H,220,269)(H,221,256)(H,222,257)(H,223,264)(H,224,249)(H,234,235)(H,236,237)(H,238,239)(H4,183,184,190)(H4,185,186,191)(H4,187,188,192)/t91-,92+,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-,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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077464
(CHEMBL3416893)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](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 by patchXpress 700A electrophysiology method |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077785
(CHEMBL3416939)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C171H269N53O45S6/c1-15-88(12)134-168(269)224-59-33-46-125(224)163(264)210-116(71-131(235)236)152(253)207-113(68-126(177)228)149(250)208-115(70-130(233)234)151(252)196-102(41-24-28-54-175)144(245)214-121-79-273-271-77-119(156(257)199-100(39-22-26-52-173)141(242)205-110(64-92-47-49-95(227)50-48-92)154(255)220-132(86(8)9)164(265)201-106(136(179)237)63-91-34-17-16-18-35-91)216-147(248)111(65-93-72-190-98-37-20-19-36-96(93)98)206-142(243)99(38-21-25-51-172)195-148(249)112(66-94-73-186-82-192-94)211-166(267)135(90(14)226)222-145(246)104(43-30-56-188-170(182)183)198-155(256)117(75-225)212-159(260)122-80-274-275-81-123(161(262)221-134)215-143(244)101(40-23-27-53-174)194-140(241)103(42-29-55-187-169(180)181)197-146(247)108(61-84(4)5)202-137(238)89(13)193-128(230)74-191-139(240)107(60-83(2)3)203-158(259)118(213-138(239)97(176)67-129(231)232)76-270-272-78-120(217-160(121)261)157(258)200-105(44-31-57-189-171(184)185)167(268)223-58-32-45-124(223)162(263)209-114(69-127(178)229)150(251)204-109(62-85(6)7)153(254)219-133(87(10)11)165(266)218-122/h16-20,34-37,47-50,72-73,82-90,97,99-125,132-135,190,225-227H,15,21-33,38-46,51-71,74-81,172-176H2,1-14H3,(H2,177,228)(H2,178,229)(H2,179,237)(H,186,192)(H,191,240)(H,193,230)(H,194,241)(H,195,249)(H,196,252)(H,197,247)(H,198,256)(H,199,257)(H,200,258)(H,201,265)(H,202,238)(H,203,259)(H,204,251)(H,205,242)(H,206,243)(H,207,253)(H,208,250)(H,209,263)(H,210,264)(H,211,267)(H,212,260)(H,213,239)(H,214,245)(H,215,244)(H,216,248)(H,217,261)(H,218,266)(H,219,254)(H,220,255)(H,221,262)(H,222,246)(H,231,232)(H,233,234)(H,235,236)(H4,180,181,187)(H4,182,183,188)(H4,184,185,189)/t88-,89-,90+,97-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,132-,133-,134-,135-/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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077717
(CHEMBL3417036)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(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| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Homo sapiens (Human)) | BDBM50051073
(CHEMBL3318132)Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/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 NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077470
(CHEMBL3416887)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSCC3([H])NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)C([H])(CSSC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1)NC(=O)C([H])(CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)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](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC2=O)C(C)C |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077778
(CHEMBL3416945)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](CCC(O)=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/C177H271N53O46S7/c1-12-93(10)141-174(276)230-64-33-48-131(230)170(272)218-122(77-138(242)243)159(261)215-119(74-132(183)233)156(258)216-121(76-137(240)241)158(260)203-106(43-24-28-59-181)150(252)221-127-85-281-279-83-125(163(265)205-104(41-22-26-57-179)147(249)212-116(70-96-49-51-99(232)52-50-96)161(263)227-139(91(6)7)171(273)209-112(142(185)244)68-94-34-15-13-16-35-94)223-154(256)117(71-97-78-196-102-39-20-19-38-100(97)102)213-148(250)103(40-21-25-56-178)202-155(257)118(72-98-79-192-88-198-98)214-151(253)109(53-54-135(236)237)206-146(248)108(45-30-61-194-176(188)189)204-162(264)123(81-231)219-166(268)128-86-282-283-87-129(168(270)228-141)222-149(251)105(42-23-27-58-180)200-145(247)107(44-29-60-193-175(186)187)201-152(254)110(55-65-277-11)207-153(255)115(69-95-36-17-14-18-37-95)199-134(235)80-197-144(246)113(66-89(2)3)210-165(267)124(220-143(245)101(182)73-136(238)239)82-278-280-84-126(224-167(127)269)164(266)208-111(46-31-62-195-177(190)191)173(275)229-63-32-47-130(229)169(271)217-120(75-133(184)234)157(259)211-114(67-90(4)5)160(262)226-140(92(8)9)172(274)225-128/h13-20,34-39,49-52,78-79,88-93,101,103-131,139-141,196,231-232H,12,21-33,40-48,53-77,80-87,178-182H2,1-11H3,(H2,183,233)(H2,184,234)(H2,185,244)(H,192,198)(H,197,246)(H,199,235)(H,200,247)(H,201,254)(H,202,257)(H,203,260)(H,204,264)(H,205,265)(H,206,248)(H,207,255)(H,208,266)(H,209,273)(H,210,267)(H,211,259)(H,212,249)(H,213,250)(H,214,253)(H,215,261)(H,216,258)(H,217,271)(H,218,272)(H,219,268)(H,220,245)(H,221,252)(H,222,251)(H,223,256)(H,224,269)(H,225,274)(H,226,262)(H,227,263)(H,228,270)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,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-,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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077858
(CHEMBL3416919)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](CCC)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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077716
(CHEMBL3417037)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](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](CC(C)C)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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077783
(CHEMBL3416941)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H268N54O45S6/c1-13-90(10)139-173(275)230-61-33-48-130(230)168(270)216-121(73-136(241)242)157(259)213-118(70-131(182)234)154(256)214-120(72-135(239)240)156(258)202-107(43-24-28-56-180)149(251)220-126-82-279-277-80-124(161(263)205-105(41-22-26-54-178)146(248)211-114(65-94-49-51-98(233)52-50-94)159(261)226-137(88(6)7)169(271)207-111(141(184)243)64-93-34-15-14-16-35-93)222-152(254)116(67-96-75-196-103-39-20-18-37-100(96)103)212-147(249)104(40-21-25-53-177)201-153(255)117(68-97-76-191-85-198-97)217-171(273)140(92(12)232)228-150(252)109(45-30-58-193-175(187)188)204-160(262)122(78-231)218-164(266)127-83-280-281-84-128(166(268)227-139)221-148(250)106(42-23-27-55-179)200-145(247)108(44-29-57-192-174(185)186)203-151(253)115(66-95-74-195-102-38-19-17-36-99(95)102)208-142(244)91(11)199-133(236)77-197-144(246)112(62-86(2)3)209-163(265)123(219-143(245)101(181)69-134(237)238)79-276-278-81-125(223-165(126)267)162(264)206-110(46-31-59-194-176(189)190)172(274)229-60-32-47-129(229)167(269)215-119(71-132(183)235)155(257)210-113(63-87(4)5)158(260)225-138(89(8)9)170(272)224-127/h14-20,34-39,49-52,74-76,85-92,101,104-130,137-140,195-196,231-233H,13,21-33,40-48,53-73,77-84,177-181H2,1-12H3,(H2,182,234)(H2,183,235)(H2,184,243)(H,191,198)(H,197,246)(H,199,236)(H,200,247)(H,201,255)(H,202,258)(H,203,253)(H,204,262)(H,205,263)(H,206,264)(H,207,271)(H,208,244)(H,209,265)(H,210,257)(H,211,248)(H,212,249)(H,213,259)(H,214,256)(H,215,269)(H,216,270)(H,217,273)(H,218,266)(H,219,245)(H,220,251)(H,221,250)(H,222,254)(H,223,267)(H,224,272)(H,225,260)(H,226,261)(H,227,268)(H,228,252)(H,237,238)(H,239,240)(H,241,242)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t90-,91-,92+,101-,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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077801
(CHEMBL3416935)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](Cc3ccc(O)cc3)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/C180H271N53O46S6/c1-12-94(10)143-177(279)233-65-33-48-134(233)172(274)219-125(78-140(245)246)161(263)216-122(75-135(186)238)158(260)217-124(77-139(243)244)160(262)205-110(43-24-28-60-184)152(254)223-130-86-283-281-84-128(165(267)208-108(41-22-26-58-182)149(251)213-119(71-99-51-55-103(237)56-52-99)163(265)229-141(92(6)7)173(275)210-114(145(188)247)68-96-34-15-13-16-35-96)225-156(258)120(72-100-79-199-106-39-20-19-38-104(100)106)215-150(252)107(40-21-25-57-181)204-157(259)121(73-101-80-195-89-201-101)220-175(277)144(95(11)235)231-153(255)112(45-30-62-197-179(191)192)207-164(266)126(82-234)221-168(270)131-87-284-285-88-132(170(272)230-143)224-151(253)109(42-23-27-59-183)203-148(250)111(44-29-61-196-178(189)190)206-155(257)118(70-98-49-53-102(236)54-50-98)214-154(256)117(69-97-36-17-14-18-37-97)202-137(240)81-200-147(249)115(66-90(2)3)211-167(269)127(222-146(248)105(185)74-138(241)242)83-280-282-85-129(226-169(130)271)166(268)209-113(46-31-63-198-180(193)194)176(278)232-64-32-47-133(232)171(273)218-123(76-136(187)239)159(261)212-116(67-91(4)5)162(264)228-142(93(8)9)174(276)227-131/h13-20,34-39,49-56,79-80,89-95,105,107-134,141-144,199,234-237H,12,21-33,40-48,57-78,81-88,181-185H2,1-11H3,(H2,186,238)(H2,187,239)(H2,188,247)(H,195,201)(H,200,249)(H,202,240)(H,203,250)(H,204,259)(H,205,262)(H,206,257)(H,207,266)(H,208,267)(H,209,268)(H,210,275)(H,211,269)(H,212,261)(H,213,251)(H,214,256)(H,215,252)(H,216,263)(H,217,260)(H,218,273)(H,219,274)(H,220,277)(H,221,270)(H,222,248)(H,223,254)(H,224,253)(H,225,258)(H,226,271)(H,227,276)(H,228,264)(H,229,265)(H,230,272)(H,231,255)(H,241,242)(H,243,244)(H,245,246)(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
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Homo sapiens (Human)) | BDBM50077805
(CHEMBL3416931)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C177H273N53O45S6/c1-13-15-42-104-145(246)201-109(48-32-61-193-175(186)187)146(247)200-107(46-26-30-59-180)149(250)221-129-87-281-280-86-128-165(266)218-123(81-231)161(262)205-110(49-33-62-194-176(188)189)151(252)228-141(94(12)232)172(273)217-118(72-99-79-192-88-198-99)154(255)203-105(44-24-28-57-178)148(249)212-117(71-98-78-196-103-43-23-22-41-101(98)103)153(254)222-125(162(263)206-106(45-25-29-58-179)147(248)211-116(70-97-53-55-100(233)56-54-97)160(261)226-138(91(7)8)170(271)208-112(142(185)243)68-95-37-18-16-19-38-95)83-277-279-85-127(220-150(251)108(47-27-31-60-181)204-157(258)121(76-136(239)240)214-155(256)119(74-132(183)234)213-158(259)122(77-137(241)242)216-169(270)131-52-36-65-230(131)174(275)140(93(11)14-2)227-167(129)268)166(267)223-126(84-278-276-82-124(219-143(244)102(182)73-135(237)238)164(265)209-113(66-89(3)4)144(245)197-80-134(236)199-115(152(253)202-104)69-96-39-20-17-21-40-96)163(264)207-111(50-34-63-195-177(190)191)173(274)229-64-35-51-130(229)168(269)215-120(75-133(184)235)156(257)210-114(67-90(5)6)159(260)225-139(92(9)10)171(272)224-128/h16-23,37-41,43,53-56,78-79,88-94,102,104-131,138-141,196,231-233H,13-15,24-36,42,44-52,57-77,80-87,178-182H2,1-12H3,(H2,183,234)(H2,184,235)(H2,185,243)(H,192,198)(H,197,245)(H,199,236)(H,200,247)(H,201,246)(H,202,253)(H,203,255)(H,204,258)(H,205,262)(H,206,263)(H,207,264)(H,208,271)(H,209,265)(H,210,257)(H,211,248)(H,212,249)(H,213,259)(H,214,256)(H,215,269)(H,216,270)(H,217,273)(H,218,266)(H,219,244)(H,220,251)(H,221,250)(H,222,254)(H,223,267)(H,224,272)(H,225,260)(H,226,261)(H,227,268)(H,228,252)(H,237,238)(H,239,240)(H,241,242)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,94+,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,138-,139-,140-,141-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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 NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077859
(CHEMBL3416918)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](CC)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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077810
(CHEMBL3416930)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccc(cc3)-c3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C182H275N53O45S7/c1-13-96(10)145-179(280)235-67-34-49-136(235)174(275)221-127(80-142(246)247)163(264)218-124(77-137(188)239)160(261)219-126(79-141(244)245)162(263)208-112(44-25-29-62-186)154(255)225-132-88-285-283-86-130(167(268)210-110(42-23-27-60-184)151(252)216-121(73-100-52-56-105(238)57-53-100)165(266)231-143(94(6)7)175(276)213-117(147(190)248)71-98-35-16-14-17-36-98)227-158(259)122(74-103-81-201-108-40-21-20-39-106(103)108)217-152(253)109(41-22-26-59-183)207-159(260)123(75-104-82-197-91-203-104)222-177(278)146(97(11)237)233-156(257)114(46-31-64-199-181(193)194)209-166(267)128(84-236)223-170(271)133-89-286-287-90-134(172(273)232-145)226-153(254)111(43-24-28-61-185)205-150(251)113(45-30-63-198-180(191)192)206-155(256)115(58-68-281-12)211-157(258)120(72-99-50-54-102(55-51-99)101-37-18-15-19-38-101)204-139(241)83-202-149(250)118(69-92(2)3)214-169(270)129(224-148(249)107(187)76-140(242)243)85-282-284-87-131(228-171(132)272)168(269)212-116(47-32-65-200-182(195)196)178(279)234-66-33-48-135(234)173(274)220-125(78-138(189)240)161(262)215-119(70-93(4)5)164(265)230-144(95(8)9)176(277)229-133/h14-21,35-40,50-57,81-82,91-97,107,109-136,143-146,201,236-238H,13,22-34,41-49,58-80,83-90,183-187H2,1-12H3,(H2,188,239)(H2,189,240)(H2,190,248)(H,197,203)(H,202,250)(H,204,241)(H,205,251)(H,206,256)(H,207,260)(H,208,263)(H,209,267)(H,210,268)(H,211,258)(H,212,269)(H,213,276)(H,214,270)(H,215,262)(H,216,252)(H,217,253)(H,218,264)(H,219,261)(H,220,274)(H,221,275)(H,222,278)(H,223,271)(H,224,249)(H,225,255)(H,226,254)(H,227,259)(H,228,272)(H,229,277)(H,230,265)(H,231,266)(H,232,273)(H,233,257)(H,242,243)(H,244,245)(H,246,247)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/t96-,97+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,143-,144-,145-,146-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077609
(CHEMBL3416902)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](C)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/C174H269N53O45S7/c1-14-90(10)137-171(272)227-61-34-48-128(227)167(268)214-120(74-134(238)239)157(258)212-118(72-130(181)232)155(256)213-119(73-133(236)237)156(257)201-105(44-26-30-57-178)148(249)218-125-82-277-275-80-123(161(262)203-103(42-24-28-55-176)145(246)210-114(67-95-49-51-98(230)52-50-95)159(260)224-135(88(6)7)168(269)206-110(139(182)240)65-93-35-17-15-18-36-93)220-152(253)115(68-96-75-193-101-40-22-21-39-99(96)101)211-146(247)102(41-23-27-54-175)200-153(254)116(69-97-76-189-85-195-97)215-170(271)138(92(12)229)226-150(251)108(47-33-60-192-174(187)188)202-160(261)121(78-228)216-164(265)126-83-278-279-84-127(166(267)225-137)219-147(248)104(43-25-29-56-177)198-144(245)107(46-32-59-191-173(185)186)199-149(250)109(53-62-273-13)205-151(252)113(66-94-37-19-16-20-38-94)197-131(233)77-194-142(243)111(63-86(2)3)208-163(264)122(217-141(242)100(179)70-132(234)235)79-274-276-81-124(221-165(125)266)162(263)204-106(45-31-58-190-172(183)184)143(244)196-91(11)140(241)207-117(71-129(180)231)154(255)209-112(64-87(4)5)158(259)223-136(89(8)9)169(270)222-126/h15-22,35-40,49-52,75-76,85-92,100,102-128,135-138,193,228-230H,14,23-34,41-48,53-74,77-84,175-179H2,1-13H3,(H2,180,231)(H2,181,232)(H2,182,240)(H,189,195)(H,194,243)(H,196,244)(H,197,233)(H,198,245)(H,199,250)(H,200,254)(H,201,257)(H,202,261)(H,203,262)(H,204,263)(H,205,252)(H,206,269)(H,207,241)(H,208,264)(H,209,255)(H,210,246)(H,211,247)(H,212,258)(H,213,256)(H,214,268)(H,215,271)(H,216,265)(H,217,242)(H,218,249)(H,219,248)(H,220,253)(H,221,266)(H,222,270)(H,223,259)(H,224,260)(H,225,267)(H,226,251)(H,234,235)(H,236,237)(H,238,239)(H4,183,184,190)(H4,185,186,191)(H4,187,188,192)/t90-,91-,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-,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 | 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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50051073
(CHEMBL3318132)Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.5 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
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