Found 6 hits for monomerid = 50164281 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50164281
(CHEMBL3799545)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CC(O)=O)NC3=O)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C174H265N53O47S7/c1-86(2)62-109-141(244)194-77-131(233)196-111(65-92-34-15-12-16-35-92)149(252)203-106(51-61-275-10)147(250)198-104(42-27-56-190-172(183)184)142(245)197-102(40-21-25-54-177)145(248)218-124-82-279-281-84-126-163(266)216-120(78-228)158(261)201-105(43-28-57-191-173(185)186)148(251)225-138(90(9)229)169(272)214-114(68-95-76-189-85-195-95)151(254)199-100(38-19-23-52-175)144(247)209-113(67-94-75-193-99-37-18-17-36-97(94)99)150(253)220-122(159(262)202-101(39-20-24-53-176)143(246)208-112(66-93-47-49-96(230)50-48-93)157(260)224-136(88(5)6)167(270)205-108(139(182)242)64-91-32-13-11-14-33-91)80-277-280-83-125(219-146(249)103(41-22-26-55-178)200-154(257)117(72-133(236)237)211-152(255)115(70-129(180)231)210-155(258)118(73-134(238)239)213-166(269)128-46-31-60-227(128)171(274)119(74-135(240)241)215-162(124)265)164(267)221-123(81-278-276-79-121(161(264)206-109)217-140(243)98(179)69-132(234)235)160(263)204-107(44-29-58-192-174(187)188)170(273)226-59-30-45-127(226)165(268)212-116(71-130(181)232)153(256)207-110(63-87(3)4)156(259)223-137(89(7)8)168(271)222-126/h11-18,32-37,47-50,75-76,85-90,98,100-128,136-138,193,228-230H,19-31,38-46,51-74,77-84,175-179H2,1-10H3,(H2,180,231)(H2,181,232)(H2,182,242)(H,189,195)(H,194,244)(H,196,233)(H,197,245)(H,198,250)(H,199,254)(H,200,257)(H,201,261)(H,202,262)(H,203,252)(H,204,263)(H,205,270)(H,206,264)(H,207,256)(H,208,246)(H,209,247)(H,210,258)(H,211,255)(H,212,268)(H,213,269)(H,214,272)(H,215,265)(H,216,266)(H,217,243)(H,218,248)(H,219,249)(H,220,253)(H,221,267)(H,222,271)(H,223,259)(H,224,260)(H,225,251)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,183,184,190)(H4,185,186,191)(H4,187,188,192)/t90-,98+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,136+,137+,138+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)
(Homo sapiens (Human)) | BDBM50164281
(CHEMBL3799545)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CC(O)=O)NC3=O)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C174H265N53O47S7/c1-86(2)62-109-141(244)194-77-131(233)196-111(65-92-34-15-12-16-35-92)149(252)203-106(51-61-275-10)147(250)198-104(42-27-56-190-172(183)184)142(245)197-102(40-21-25-54-177)145(248)218-124-82-279-281-84-126-163(266)216-120(78-228)158(261)201-105(43-28-57-191-173(185)186)148(251)225-138(90(9)229)169(272)214-114(68-95-76-189-85-195-95)151(254)199-100(38-19-23-52-175)144(247)209-113(67-94-75-193-99-37-18-17-36-97(94)99)150(253)220-122(159(262)202-101(39-20-24-53-176)143(246)208-112(66-93-47-49-96(230)50-48-93)157(260)224-136(88(5)6)167(270)205-108(139(182)242)64-91-32-13-11-14-33-91)80-277-280-83-125(219-146(249)103(41-22-26-55-178)200-154(257)117(72-133(236)237)211-152(255)115(70-129(180)231)210-155(258)118(73-134(238)239)213-166(269)128-46-31-60-227(128)171(274)119(74-135(240)241)215-162(124)265)164(267)221-123(81-278-276-79-121(161(264)206-109)217-140(243)98(179)69-132(234)235)160(263)204-107(44-29-58-192-174(187)188)170(273)226-59-30-45-127(226)165(268)212-116(71-130(181)232)153(256)207-110(63-87(3)4)156(259)223-137(89(7)8)168(271)222-126/h11-18,32-37,47-50,75-76,85-90,98,100-128,136-138,193,228-230H,19-31,38-46,51-74,77-84,175-179H2,1-10H3,(H2,180,231)(H2,181,232)(H2,182,242)(H,189,195)(H,194,244)(H,196,233)(H,197,245)(H,198,250)(H,199,254)(H,200,257)(H,201,261)(H,202,262)(H,203,252)(H,204,263)(H,205,270)(H,206,264)(H,207,256)(H,208,246)(H,209,247)(H,210,258)(H,211,255)(H,212,268)(H,213,269)(H,214,272)(H,215,265)(H,216,266)(H,217,243)(H,218,248)(H,219,249)(H,220,253)(H,221,267)(H,222,271)(H,223,259)(H,224,260)(H,225,251)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,183,184,190)(H4,185,186,191)(H4,187,188,192)/t90-,98+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,136+,137+,138+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)
(Homo sapiens (Human)) | BDBM50164281
(CHEMBL3799545)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CC(O)=O)NC3=O)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C174H265N53O47S7/c1-86(2)62-109-141(244)194-77-131(233)196-111(65-92-34-15-12-16-35-92)149(252)203-106(51-61-275-10)147(250)198-104(42-27-56-190-172(183)184)142(245)197-102(40-21-25-54-177)145(248)218-124-82-279-281-84-126-163(266)216-120(78-228)158(261)201-105(43-28-57-191-173(185)186)148(251)225-138(90(9)229)169(272)214-114(68-95-76-189-85-195-95)151(254)199-100(38-19-23-52-175)144(247)209-113(67-94-75-193-99-37-18-17-36-97(94)99)150(253)220-122(159(262)202-101(39-20-24-53-176)143(246)208-112(66-93-47-49-96(230)50-48-93)157(260)224-136(88(5)6)167(270)205-108(139(182)242)64-91-32-13-11-14-33-91)80-277-280-83-125(219-146(249)103(41-22-26-55-178)200-154(257)117(72-133(236)237)211-152(255)115(70-129(180)231)210-155(258)118(73-134(238)239)213-166(269)128-46-31-60-227(128)171(274)119(74-135(240)241)215-162(124)265)164(267)221-123(81-278-276-79-121(161(264)206-109)217-140(243)98(179)69-132(234)235)160(263)204-107(44-29-58-192-174(187)188)170(273)226-59-30-45-127(226)165(268)212-116(71-130(181)232)153(256)207-110(63-87(3)4)156(259)223-137(89(7)8)168(271)222-126/h11-18,32-37,47-50,75-76,85-90,98,100-128,136-138,193,228-230H,19-31,38-46,51-74,77-84,175-179H2,1-10H3,(H2,180,231)(H2,181,232)(H2,182,242)(H,189,195)(H,194,244)(H,196,233)(H,197,245)(H,198,250)(H,199,254)(H,200,257)(H,201,261)(H,202,262)(H,203,252)(H,204,263)(H,205,270)(H,206,264)(H,207,256)(H,208,246)(H,209,247)(H,210,258)(H,211,255)(H,212,268)(H,213,269)(H,214,272)(H,215,265)(H,216,266)(H,217,243)(H,218,248)(H,219,249)(H,220,253)(H,221,267)(H,222,271)(H,223,259)(H,224,260)(H,225,251)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,183,184,190)(H4,185,186,191)(H4,187,188,192)/t90-,98+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,136+,137+,138+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164281
(CHEMBL3799545)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CC(O)=O)NC3=O)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C174H265N53O47S7/c1-86(2)62-109-141(244)194-77-131(233)196-111(65-92-34-15-12-16-35-92)149(252)203-106(51-61-275-10)147(250)198-104(42-27-56-190-172(183)184)142(245)197-102(40-21-25-54-177)145(248)218-124-82-279-281-84-126-163(266)216-120(78-228)158(261)201-105(43-28-57-191-173(185)186)148(251)225-138(90(9)229)169(272)214-114(68-95-76-189-85-195-95)151(254)199-100(38-19-23-52-175)144(247)209-113(67-94-75-193-99-37-18-17-36-97(94)99)150(253)220-122(159(262)202-101(39-20-24-53-176)143(246)208-112(66-93-47-49-96(230)50-48-93)157(260)224-136(88(5)6)167(270)205-108(139(182)242)64-91-32-13-11-14-33-91)80-277-280-83-125(219-146(249)103(41-22-26-55-178)200-154(257)117(72-133(236)237)211-152(255)115(70-129(180)231)210-155(258)118(73-134(238)239)213-166(269)128-46-31-60-227(128)171(274)119(74-135(240)241)215-162(124)265)164(267)221-123(81-278-276-79-121(161(264)206-109)217-140(243)98(179)69-132(234)235)160(263)204-107(44-29-58-192-174(187)188)170(273)226-59-30-45-127(226)165(268)212-116(71-130(181)232)153(256)207-110(63-87(3)4)156(259)223-137(89(7)8)168(271)222-126/h11-18,32-37,47-50,75-76,85-90,98,100-128,136-138,193,228-230H,19-31,38-46,51-74,77-84,175-179H2,1-10H3,(H2,180,231)(H2,181,232)(H2,182,242)(H,189,195)(H,194,244)(H,196,233)(H,197,245)(H,198,250)(H,199,254)(H,200,257)(H,201,261)(H,202,262)(H,203,252)(H,204,263)(H,205,270)(H,206,264)(H,207,256)(H,208,246)(H,209,247)(H,210,258)(H,211,255)(H,212,268)(H,213,269)(H,214,272)(H,215,265)(H,216,266)(H,217,243)(H,218,248)(H,219,249)(H,220,253)(H,221,267)(H,222,271)(H,223,259)(H,224,260)(H,225,251)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,183,184,190)(H4,185,186,191)(H4,187,188,192)/t90-,98+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,136+,137+,138+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50164281
(CHEMBL3799545)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CC(O)=O)NC3=O)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C174H265N53O47S7/c1-86(2)62-109-141(244)194-77-131(233)196-111(65-92-34-15-12-16-35-92)149(252)203-106(51-61-275-10)147(250)198-104(42-27-56-190-172(183)184)142(245)197-102(40-21-25-54-177)145(248)218-124-82-279-281-84-126-163(266)216-120(78-228)158(261)201-105(43-28-57-191-173(185)186)148(251)225-138(90(9)229)169(272)214-114(68-95-76-189-85-195-95)151(254)199-100(38-19-23-52-175)144(247)209-113(67-94-75-193-99-37-18-17-36-97(94)99)150(253)220-122(159(262)202-101(39-20-24-53-176)143(246)208-112(66-93-47-49-96(230)50-48-93)157(260)224-136(88(5)6)167(270)205-108(139(182)242)64-91-32-13-11-14-33-91)80-277-280-83-125(219-146(249)103(41-22-26-55-178)200-154(257)117(72-133(236)237)211-152(255)115(70-129(180)231)210-155(258)118(73-134(238)239)213-166(269)128-46-31-60-227(128)171(274)119(74-135(240)241)215-162(124)265)164(267)221-123(81-278-276-79-121(161(264)206-109)217-140(243)98(179)69-132(234)235)160(263)204-107(44-29-58-192-174(187)188)170(273)226-59-30-45-127(226)165(268)212-116(71-130(181)232)153(256)207-110(63-87(3)4)156(259)223-137(89(7)8)168(271)222-126/h11-18,32-37,47-50,75-76,85-90,98,100-128,136-138,193,228-230H,19-31,38-46,51-74,77-84,175-179H2,1-10H3,(H2,180,231)(H2,181,232)(H2,182,242)(H,189,195)(H,194,244)(H,196,233)(H,197,245)(H,198,250)(H,199,254)(H,200,257)(H,201,261)(H,202,262)(H,203,252)(H,204,263)(H,205,270)(H,206,264)(H,207,256)(H,208,246)(H,209,247)(H,210,258)(H,211,255)(H,212,268)(H,213,269)(H,214,272)(H,215,265)(H,216,266)(H,217,243)(H,218,248)(H,219,249)(H,220,253)(H,221,267)(H,222,271)(H,223,259)(H,224,260)(H,225,251)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,183,184,190)(H4,185,186,191)(H4,187,188,192)/t90-,98+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,136+,137+,138+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164281
(CHEMBL3799545)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CC(O)=O)NC3=O)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C174H265N53O47S7/c1-86(2)62-109-141(244)194-77-131(233)196-111(65-92-34-15-12-16-35-92)149(252)203-106(51-61-275-10)147(250)198-104(42-27-56-190-172(183)184)142(245)197-102(40-21-25-54-177)145(248)218-124-82-279-281-84-126-163(266)216-120(78-228)158(261)201-105(43-28-57-191-173(185)186)148(251)225-138(90(9)229)169(272)214-114(68-95-76-189-85-195-95)151(254)199-100(38-19-23-52-175)144(247)209-113(67-94-75-193-99-37-18-17-36-97(94)99)150(253)220-122(159(262)202-101(39-20-24-53-176)143(246)208-112(66-93-47-49-96(230)50-48-93)157(260)224-136(88(5)6)167(270)205-108(139(182)242)64-91-32-13-11-14-33-91)80-277-280-83-125(219-146(249)103(41-22-26-55-178)200-154(257)117(72-133(236)237)211-152(255)115(70-129(180)231)210-155(258)118(73-134(238)239)213-166(269)128-46-31-60-227(128)171(274)119(74-135(240)241)215-162(124)265)164(267)221-123(81-278-276-79-121(161(264)206-109)217-140(243)98(179)69-132(234)235)160(263)204-107(44-29-58-192-174(187)188)170(273)226-59-30-45-127(226)165(268)212-116(71-130(181)232)153(256)207-110(63-87(3)4)156(259)223-137(89(7)8)168(271)222-126/h11-18,32-37,47-50,75-76,85-90,98,100-128,136-138,193,228-230H,19-31,38-46,51-74,77-84,175-179H2,1-10H3,(H2,180,231)(H2,181,232)(H2,182,242)(H,189,195)(H,194,244)(H,196,233)(H,197,245)(H,198,250)(H,199,254)(H,200,257)(H,201,261)(H,202,262)(H,203,252)(H,204,263)(H,205,270)(H,206,264)(H,207,256)(H,208,246)(H,209,247)(H,210,258)(H,211,255)(H,212,268)(H,213,269)(H,214,272)(H,215,265)(H,216,266)(H,217,243)(H,218,248)(H,219,249)(H,220,253)(H,221,267)(H,222,271)(H,223,259)(H,224,260)(H,225,251)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,183,184,190)(H4,185,186,191)(H4,187,188,192)/t90-,98+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,136+,137+,138+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
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