Found 6 hits for monomerid = 50164085 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)) | BDBM50164085
(CHEMBL3799874)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C175H266N50O47S7/c1-13-91(10)139-173(272)225-62-33-47-129(225)168(267)211-120(75-136(238)239)157(256)208-117(72-130(181)229)154(253)209-119(74-135(236)237)156(255)198-105(43-25-29-58-179)148(247)215-125-83-277-275-81-123(161(260)200-103(41-23-27-56-177)145(244)206-114(68-95-48-50-98(228)51-49-95)159(258)221-137(89(6)7)169(268)203-110(141(183)240)66-93-34-16-14-17-35-93)217-152(251)115(69-96-76-191-101-39-21-20-38-99(96)101)207-146(245)102(40-22-26-55-176)197-153(252)116(70-97-77-188-86-193-97)212-171(270)140(92(11)227)223-150(249)107(45-31-60-190-175(186)187)199-160(259)121(79-226)213-164(263)126-84-278-279-85-127(166(265)222-139)216-147(246)104(42-24-28-57-178)195-144(243)106(44-30-59-189-174(184)185)196-149(248)108(54-63-273-12)201-151(250)113(67-94-36-18-15-19-37-94)194-132(231)78-192-143(242)111(64-87(2)3)204-163(262)122(214-142(241)100(180)71-134(234)235)80-274-276-82-124(218-165(125)264)162(261)202-109(52-53-133(232)233)172(271)224-61-32-46-128(224)167(266)210-118(73-131(182)230)155(254)205-112(65-88(4)5)158(257)220-138(90(8)9)170(269)219-126/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,191,226-228H,13,22-33,40-47,52-75,78-85,176-180H2,1-12H3,(H2,181,229)(H2,182,230)(H2,183,240)(H,188,193)(H,192,242)(H,194,231)(H,195,243)(H,196,248)(H,197,252)(H,198,255)(H,199,259)(H,200,260)(H,201,250)(H,202,261)(H,203,268)(H,204,262)(H,205,254)(H,206,244)(H,207,245)(H,208,256)(H,209,253)(H,210,266)(H,211,267)(H,212,270)(H,213,263)(H,214,241)(H,215,247)(H,216,246)(H,217,251)(H,218,264)(H,219,269)(H,220,257)(H,221,258)(H,222,265)(H,223,249)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,184,185,189)(H4,186,187,190)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Similars
| 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)) | BDBM50164085
(CHEMBL3799874)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C175H266N50O47S7/c1-13-91(10)139-173(272)225-62-33-47-129(225)168(267)211-120(75-136(238)239)157(256)208-117(72-130(181)229)154(253)209-119(74-135(236)237)156(255)198-105(43-25-29-58-179)148(247)215-125-83-277-275-81-123(161(260)200-103(41-23-27-56-177)145(244)206-114(68-95-48-50-98(228)51-49-95)159(258)221-137(89(6)7)169(268)203-110(141(183)240)66-93-34-16-14-17-35-93)217-152(251)115(69-96-76-191-101-39-21-20-38-99(96)101)207-146(245)102(40-22-26-55-176)197-153(252)116(70-97-77-188-86-193-97)212-171(270)140(92(11)227)223-150(249)107(45-31-60-190-175(186)187)199-160(259)121(79-226)213-164(263)126-84-278-279-85-127(166(265)222-139)216-147(246)104(42-24-28-57-178)195-144(243)106(44-30-59-189-174(184)185)196-149(248)108(54-63-273-12)201-151(250)113(67-94-36-18-15-19-37-94)194-132(231)78-192-143(242)111(64-87(2)3)204-163(262)122(214-142(241)100(180)71-134(234)235)80-274-276-82-124(218-165(125)264)162(261)202-109(52-53-133(232)233)172(271)224-61-32-46-128(224)167(266)210-118(73-131(182)230)155(254)205-112(65-88(4)5)158(257)220-138(90(8)9)170(269)219-126/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,191,226-228H,13,22-33,40-47,52-75,78-85,176-180H2,1-12H3,(H2,181,229)(H2,182,230)(H2,183,240)(H,188,193)(H,192,242)(H,194,231)(H,195,243)(H,196,248)(H,197,252)(H,198,255)(H,199,259)(H,200,260)(H,201,250)(H,202,261)(H,203,268)(H,204,262)(H,205,254)(H,206,244)(H,207,245)(H,208,256)(H,209,253)(H,210,266)(H,211,267)(H,212,270)(H,213,263)(H,214,241)(H,215,247)(H,216,246)(H,217,251)(H,218,264)(H,219,269)(H,220,257)(H,221,258)(H,222,265)(H,223,249)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,184,185,189)(H4,186,187,190)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+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)) | BDBM50164085
(CHEMBL3799874)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C175H266N50O47S7/c1-13-91(10)139-173(272)225-62-33-47-129(225)168(267)211-120(75-136(238)239)157(256)208-117(72-130(181)229)154(253)209-119(74-135(236)237)156(255)198-105(43-25-29-58-179)148(247)215-125-83-277-275-81-123(161(260)200-103(41-23-27-56-177)145(244)206-114(68-95-48-50-98(228)51-49-95)159(258)221-137(89(6)7)169(268)203-110(141(183)240)66-93-34-16-14-17-35-93)217-152(251)115(69-96-76-191-101-39-21-20-38-99(96)101)207-146(245)102(40-22-26-55-176)197-153(252)116(70-97-77-188-86-193-97)212-171(270)140(92(11)227)223-150(249)107(45-31-60-190-175(186)187)199-160(259)121(79-226)213-164(263)126-84-278-279-85-127(166(265)222-139)216-147(246)104(42-24-28-57-178)195-144(243)106(44-30-59-189-174(184)185)196-149(248)108(54-63-273-12)201-151(250)113(67-94-36-18-15-19-37-94)194-132(231)78-192-143(242)111(64-87(2)3)204-163(262)122(214-142(241)100(180)71-134(234)235)80-274-276-82-124(218-165(125)264)162(261)202-109(52-53-133(232)233)172(271)224-61-32-46-128(224)167(266)210-118(73-131(182)230)155(254)205-112(65-88(4)5)158(257)220-138(90(8)9)170(269)219-126/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,191,226-228H,13,22-33,40-47,52-75,78-85,176-180H2,1-12H3,(H2,181,229)(H2,182,230)(H2,183,240)(H,188,193)(H,192,242)(H,194,231)(H,195,243)(H,196,248)(H,197,252)(H,198,255)(H,199,259)(H,200,260)(H,201,250)(H,202,261)(H,203,268)(H,204,262)(H,205,254)(H,206,244)(H,207,245)(H,208,256)(H,209,253)(H,210,266)(H,211,267)(H,212,270)(H,213,263)(H,214,241)(H,215,247)(H,216,246)(H,217,251)(H,218,264)(H,219,269)(H,220,257)(H,221,258)(H,222,265)(H,223,249)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,184,185,189)(H4,186,187,190)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >4.80E+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)) | BDBM50164085
(CHEMBL3799874)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C175H266N50O47S7/c1-13-91(10)139-173(272)225-62-33-47-129(225)168(267)211-120(75-136(238)239)157(256)208-117(72-130(181)229)154(253)209-119(74-135(236)237)156(255)198-105(43-25-29-58-179)148(247)215-125-83-277-275-81-123(161(260)200-103(41-23-27-56-177)145(244)206-114(68-95-48-50-98(228)51-49-95)159(258)221-137(89(6)7)169(268)203-110(141(183)240)66-93-34-16-14-17-35-93)217-152(251)115(69-96-76-191-101-39-21-20-38-99(96)101)207-146(245)102(40-22-26-55-176)197-153(252)116(70-97-77-188-86-193-97)212-171(270)140(92(11)227)223-150(249)107(45-31-60-190-175(186)187)199-160(259)121(79-226)213-164(263)126-84-278-279-85-127(166(265)222-139)216-147(246)104(42-24-28-57-178)195-144(243)106(44-30-59-189-174(184)185)196-149(248)108(54-63-273-12)201-151(250)113(67-94-36-18-15-19-37-94)194-132(231)78-192-143(242)111(64-87(2)3)204-163(262)122(214-142(241)100(180)71-134(234)235)80-274-276-82-124(218-165(125)264)162(261)202-109(52-53-133(232)233)172(271)224-61-32-46-128(224)167(266)210-118(73-131(182)230)155(254)205-112(65-88(4)5)158(257)220-138(90(8)9)170(269)219-126/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,191,226-228H,13,22-33,40-47,52-75,78-85,176-180H2,1-12H3,(H2,181,229)(H2,182,230)(H2,183,240)(H,188,193)(H,192,242)(H,194,231)(H,195,243)(H,196,248)(H,197,252)(H,198,255)(H,199,259)(H,200,260)(H,201,250)(H,202,261)(H,203,268)(H,204,262)(H,205,254)(H,206,244)(H,207,245)(H,208,256)(H,209,253)(H,210,266)(H,211,267)(H,212,270)(H,213,263)(H,214,241)(H,215,247)(H,216,246)(H,217,251)(H,218,264)(H,219,269)(H,220,257)(H,221,258)(H,222,265)(H,223,249)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,184,185,189)(H4,186,187,190)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Similars
| 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)) | BDBM50164085
(CHEMBL3799874)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C175H266N50O47S7/c1-13-91(10)139-173(272)225-62-33-47-129(225)168(267)211-120(75-136(238)239)157(256)208-117(72-130(181)229)154(253)209-119(74-135(236)237)156(255)198-105(43-25-29-58-179)148(247)215-125-83-277-275-81-123(161(260)200-103(41-23-27-56-177)145(244)206-114(68-95-48-50-98(228)51-49-95)159(258)221-137(89(6)7)169(268)203-110(141(183)240)66-93-34-16-14-17-35-93)217-152(251)115(69-96-76-191-101-39-21-20-38-99(96)101)207-146(245)102(40-22-26-55-176)197-153(252)116(70-97-77-188-86-193-97)212-171(270)140(92(11)227)223-150(249)107(45-31-60-190-175(186)187)199-160(259)121(79-226)213-164(263)126-84-278-279-85-127(166(265)222-139)216-147(246)104(42-24-28-57-178)195-144(243)106(44-30-59-189-174(184)185)196-149(248)108(54-63-273-12)201-151(250)113(67-94-36-18-15-19-37-94)194-132(231)78-192-143(242)111(64-87(2)3)204-163(262)122(214-142(241)100(180)71-134(234)235)80-274-276-82-124(218-165(125)264)162(261)202-109(52-53-133(232)233)172(271)224-61-32-46-128(224)167(266)210-118(73-131(182)230)155(254)205-112(65-88(4)5)158(257)220-138(90(8)9)170(269)219-126/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,191,226-228H,13,22-33,40-47,52-75,78-85,176-180H2,1-12H3,(H2,181,229)(H2,182,230)(H2,183,240)(H,188,193)(H,192,242)(H,194,231)(H,195,243)(H,196,248)(H,197,252)(H,198,255)(H,199,259)(H,200,260)(H,201,250)(H,202,261)(H,203,268)(H,204,262)(H,205,254)(H,206,244)(H,207,245)(H,208,256)(H,209,253)(H,210,266)(H,211,267)(H,212,270)(H,213,263)(H,214,241)(H,215,247)(H,216,246)(H,217,251)(H,218,264)(H,219,269)(H,220,257)(H,221,258)(H,222,265)(H,223,249)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,184,185,189)(H4,186,187,190)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Similars
| 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)) | BDBM50164085
(CHEMBL3799874)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C175H266N50O47S7/c1-13-91(10)139-173(272)225-62-33-47-129(225)168(267)211-120(75-136(238)239)157(256)208-117(72-130(181)229)154(253)209-119(74-135(236)237)156(255)198-105(43-25-29-58-179)148(247)215-125-83-277-275-81-123(161(260)200-103(41-23-27-56-177)145(244)206-114(68-95-48-50-98(228)51-49-95)159(258)221-137(89(6)7)169(268)203-110(141(183)240)66-93-34-16-14-17-35-93)217-152(251)115(69-96-76-191-101-39-21-20-38-99(96)101)207-146(245)102(40-22-26-55-176)197-153(252)116(70-97-77-188-86-193-97)212-171(270)140(92(11)227)223-150(249)107(45-31-60-190-175(186)187)199-160(259)121(79-226)213-164(263)126-84-278-279-85-127(166(265)222-139)216-147(246)104(42-24-28-57-178)195-144(243)106(44-30-59-189-174(184)185)196-149(248)108(54-63-273-12)201-151(250)113(67-94-36-18-15-19-37-94)194-132(231)78-192-143(242)111(64-87(2)3)204-163(262)122(214-142(241)100(180)71-134(234)235)80-274-276-82-124(218-165(125)264)162(261)202-109(52-53-133(232)233)172(271)224-61-32-46-128(224)167(266)210-118(73-131(182)230)155(254)205-112(65-88(4)5)158(257)220-138(90(8)9)170(269)219-126/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,191,226-228H,13,22-33,40-47,52-75,78-85,176-180H2,1-12H3,(H2,181,229)(H2,182,230)(H2,183,240)(H,188,193)(H,192,242)(H,194,231)(H,195,243)(H,196,248)(H,197,252)(H,198,255)(H,199,259)(H,200,260)(H,201,250)(H,202,261)(H,203,268)(H,204,262)(H,205,254)(H,206,244)(H,207,245)(H,208,256)(H,209,253)(H,210,266)(H,211,267)(H,212,270)(H,213,263)(H,214,241)(H,215,247)(H,216,246)(H,217,251)(H,218,264)(H,219,269)(H,220,257)(H,221,258)(H,222,265)(H,223,249)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,184,185,189)(H4,186,187,190)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Search and Browse
