Found 6 hits for monomerid = 50164105 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)) | BDBM50164105
(CHEMBL3799602)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H271N53O47S7/c1-13-91(10)139-171(274)206-108(52-53-133(236)237)149(252)214-121(75-136(242)243)158(261)213-118(72-130(182)233)155(258)215-120(74-135(240)241)157(260)202-105(43-25-29-58-180)148(251)220-126-83-281-279-81-124(162(265)204-103(41-23-27-56-178)145(248)211-115(68-95-48-50-98(232)51-49-95)160(263)226-137(89(6)7)169(272)208-111(141(184)244)66-93-34-16-14-17-35-93)222-153(256)116(69-96-76-195-101-39-21-20-38-99(96)101)212-146(249)102(40-22-26-55-177)201-154(257)117(70-97-77-191-86-197-97)217-172(275)140(92(11)231)228-151(254)107(45-31-60-193-175(187)188)203-161(264)122(79-230)218-165(268)127-84-282-283-85-128(167(270)227-139)221-147(250)104(42-24-28-57-179)199-144(247)106(44-30-59-192-174(185)186)200-150(253)109(54-63-277-12)205-152(255)114(67-94-36-18-15-19-37-94)198-132(235)78-196-143(246)112(64-87(2)3)209-164(267)123(219-142(245)100(181)71-134(238)239)80-278-280-82-125(223-166(126)269)163(266)207-110(46-32-61-194-176(189)190)173(276)229-62-33-47-129(229)168(271)216-119(73-131(183)234)156(259)210-113(65-88(4)5)159(262)225-138(90(8)9)170(273)224-127/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,195,230-232H,13,22-33,40-47,52-75,78-85,177-181H2,1-12H3,(H2,182,233)(H2,183,234)(H2,184,244)(H,191,197)(H,196,246)(H,198,235)(H,199,247)(H,200,253)(H,201,257)(H,202,260)(H,203,264)(H,204,265)(H,205,255)(H,206,274)(H,207,266)(H,208,272)(H,209,267)(H,210,259)(H,211,248)(H,212,249)(H,213,261)(H,214,252)(H,215,258)(H,216,271)(H,217,275)(H,218,268)(H,219,245)(H,220,251)(H,221,250)(H,222,256)(H,223,269)(H,224,273)(H,225,262)(H,226,263)(H,227,270)(H,228,254)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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)) | BDBM50164105
(CHEMBL3799602)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H271N53O47S7/c1-13-91(10)139-171(274)206-108(52-53-133(236)237)149(252)214-121(75-136(242)243)158(261)213-118(72-130(182)233)155(258)215-120(74-135(240)241)157(260)202-105(43-25-29-58-180)148(251)220-126-83-281-279-81-124(162(265)204-103(41-23-27-56-178)145(248)211-115(68-95-48-50-98(232)51-49-95)160(263)226-137(89(6)7)169(272)208-111(141(184)244)66-93-34-16-14-17-35-93)222-153(256)116(69-96-76-195-101-39-21-20-38-99(96)101)212-146(249)102(40-22-26-55-177)201-154(257)117(70-97-77-191-86-197-97)217-172(275)140(92(11)231)228-151(254)107(45-31-60-193-175(187)188)203-161(264)122(79-230)218-165(268)127-84-282-283-85-128(167(270)227-139)221-147(250)104(42-24-28-57-179)199-144(247)106(44-30-59-192-174(185)186)200-150(253)109(54-63-277-12)205-152(255)114(67-94-36-18-15-19-37-94)198-132(235)78-196-143(246)112(64-87(2)3)209-164(267)123(219-142(245)100(181)71-134(238)239)80-278-280-82-125(223-166(126)269)163(266)207-110(46-32-61-194-176(189)190)173(276)229-62-33-47-129(229)168(271)216-119(73-131(183)234)156(259)210-113(65-88(4)5)159(262)225-138(90(8)9)170(273)224-127/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,195,230-232H,13,22-33,40-47,52-75,78-85,177-181H2,1-12H3,(H2,182,233)(H2,183,234)(H2,184,244)(H,191,197)(H,196,246)(H,198,235)(H,199,247)(H,200,253)(H,201,257)(H,202,260)(H,203,264)(H,204,265)(H,205,255)(H,206,274)(H,207,266)(H,208,272)(H,209,267)(H,210,259)(H,211,248)(H,212,249)(H,213,261)(H,214,252)(H,215,258)(H,216,271)(H,217,275)(H,218,268)(H,219,245)(H,220,251)(H,221,250)(H,222,256)(H,223,269)(H,224,273)(H,225,262)(H,226,263)(H,227,270)(H,228,254)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40E+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)) | BDBM50164105
(CHEMBL3799602)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H271N53O47S7/c1-13-91(10)139-171(274)206-108(52-53-133(236)237)149(252)214-121(75-136(242)243)158(261)213-118(72-130(182)233)155(258)215-120(74-135(240)241)157(260)202-105(43-25-29-58-180)148(251)220-126-83-281-279-81-124(162(265)204-103(41-23-27-56-178)145(248)211-115(68-95-48-50-98(232)51-49-95)160(263)226-137(89(6)7)169(272)208-111(141(184)244)66-93-34-16-14-17-35-93)222-153(256)116(69-96-76-195-101-39-21-20-38-99(96)101)212-146(249)102(40-22-26-55-177)201-154(257)117(70-97-77-191-86-197-97)217-172(275)140(92(11)231)228-151(254)107(45-31-60-193-175(187)188)203-161(264)122(79-230)218-165(268)127-84-282-283-85-128(167(270)227-139)221-147(250)104(42-24-28-57-179)199-144(247)106(44-30-59-192-174(185)186)200-150(253)109(54-63-277-12)205-152(255)114(67-94-36-18-15-19-37-94)198-132(235)78-196-143(246)112(64-87(2)3)209-164(267)123(219-142(245)100(181)71-134(238)239)80-278-280-82-125(223-166(126)269)163(266)207-110(46-32-61-194-176(189)190)173(276)229-62-33-47-129(229)168(271)216-119(73-131(183)234)156(259)210-113(65-88(4)5)159(262)225-138(90(8)9)170(273)224-127/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,195,230-232H,13,22-33,40-47,52-75,78-85,177-181H2,1-12H3,(H2,182,233)(H2,183,234)(H2,184,244)(H,191,197)(H,196,246)(H,198,235)(H,199,247)(H,200,253)(H,201,257)(H,202,260)(H,203,264)(H,204,265)(H,205,255)(H,206,274)(H,207,266)(H,208,272)(H,209,267)(H,210,259)(H,211,248)(H,212,249)(H,213,261)(H,214,252)(H,215,258)(H,216,271)(H,217,275)(H,218,268)(H,219,245)(H,220,251)(H,221,250)(H,222,256)(H,223,269)(H,224,273)(H,225,262)(H,226,263)(H,227,270)(H,228,254)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 Nav1.4 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)) | BDBM50164105
(CHEMBL3799602)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H271N53O47S7/c1-13-91(10)139-171(274)206-108(52-53-133(236)237)149(252)214-121(75-136(242)243)158(261)213-118(72-130(182)233)155(258)215-120(74-135(240)241)157(260)202-105(43-25-29-58-180)148(251)220-126-83-281-279-81-124(162(265)204-103(41-23-27-56-178)145(248)211-115(68-95-48-50-98(232)51-49-95)160(263)226-137(89(6)7)169(272)208-111(141(184)244)66-93-34-16-14-17-35-93)222-153(256)116(69-96-76-195-101-39-21-20-38-99(96)101)212-146(249)102(40-22-26-55-177)201-154(257)117(70-97-77-191-86-197-97)217-172(275)140(92(11)231)228-151(254)107(45-31-60-193-175(187)188)203-161(264)122(79-230)218-165(268)127-84-282-283-85-128(167(270)227-139)221-147(250)104(42-24-28-57-179)199-144(247)106(44-30-59-192-174(185)186)200-150(253)109(54-63-277-12)205-152(255)114(67-94-36-18-15-19-37-94)198-132(235)78-196-143(246)112(64-87(2)3)209-164(267)123(219-142(245)100(181)71-134(238)239)80-278-280-82-125(223-166(126)269)163(266)207-110(46-32-61-194-176(189)190)173(276)229-62-33-47-129(229)168(271)216-119(73-131(183)234)156(259)210-113(65-88(4)5)159(262)225-138(90(8)9)170(273)224-127/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,195,230-232H,13,22-33,40-47,52-75,78-85,177-181H2,1-12H3,(H2,182,233)(H2,183,234)(H2,184,244)(H,191,197)(H,196,246)(H,198,235)(H,199,247)(H,200,253)(H,201,257)(H,202,260)(H,203,264)(H,204,265)(H,205,255)(H,206,274)(H,207,266)(H,208,272)(H,209,267)(H,210,259)(H,211,248)(H,212,249)(H,213,261)(H,214,252)(H,215,258)(H,216,271)(H,217,275)(H,218,268)(H,219,245)(H,220,251)(H,221,250)(H,222,256)(H,223,269)(H,224,273)(H,225,262)(H,226,263)(H,227,270)(H,228,254)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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)) | BDBM50164105
(CHEMBL3799602)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H271N53O47S7/c1-13-91(10)139-171(274)206-108(52-53-133(236)237)149(252)214-121(75-136(242)243)158(261)213-118(72-130(182)233)155(258)215-120(74-135(240)241)157(260)202-105(43-25-29-58-180)148(251)220-126-83-281-279-81-124(162(265)204-103(41-23-27-56-178)145(248)211-115(68-95-48-50-98(232)51-49-95)160(263)226-137(89(6)7)169(272)208-111(141(184)244)66-93-34-16-14-17-35-93)222-153(256)116(69-96-76-195-101-39-21-20-38-99(96)101)212-146(249)102(40-22-26-55-177)201-154(257)117(70-97-77-191-86-197-97)217-172(275)140(92(11)231)228-151(254)107(45-31-60-193-175(187)188)203-161(264)122(79-230)218-165(268)127-84-282-283-85-128(167(270)227-139)221-147(250)104(42-24-28-57-179)199-144(247)106(44-30-59-192-174(185)186)200-150(253)109(54-63-277-12)205-152(255)114(67-94-36-18-15-19-37-94)198-132(235)78-196-143(246)112(64-87(2)3)209-164(267)123(219-142(245)100(181)71-134(238)239)80-278-280-82-125(223-166(126)269)163(266)207-110(46-32-61-194-176(189)190)173(276)229-62-33-47-129(229)168(271)216-119(73-131(183)234)156(259)210-113(65-88(4)5)159(262)225-138(90(8)9)170(273)224-127/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,195,230-232H,13,22-33,40-47,52-75,78-85,177-181H2,1-12H3,(H2,182,233)(H2,183,234)(H2,184,244)(H,191,197)(H,196,246)(H,198,235)(H,199,247)(H,200,253)(H,201,257)(H,202,260)(H,203,264)(H,204,265)(H,205,255)(H,206,274)(H,207,266)(H,208,272)(H,209,267)(H,210,259)(H,211,248)(H,212,249)(H,213,261)(H,214,252)(H,215,258)(H,216,271)(H,217,275)(H,218,268)(H,219,245)(H,220,251)(H,221,250)(H,222,256)(H,223,269)(H,224,273)(H,225,262)(H,226,263)(H,227,270)(H,228,254)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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)) | BDBM50164105
(CHEMBL3799602)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C176H271N53O47S7/c1-13-91(10)139-171(274)206-108(52-53-133(236)237)149(252)214-121(75-136(242)243)158(261)213-118(72-130(182)233)155(258)215-120(74-135(240)241)157(260)202-105(43-25-29-58-180)148(251)220-126-83-281-279-81-124(162(265)204-103(41-23-27-56-178)145(248)211-115(68-95-48-50-98(232)51-49-95)160(263)226-137(89(6)7)169(272)208-111(141(184)244)66-93-34-16-14-17-35-93)222-153(256)116(69-96-76-195-101-39-21-20-38-99(96)101)212-146(249)102(40-22-26-55-177)201-154(257)117(70-97-77-191-86-197-97)217-172(275)140(92(11)231)228-151(254)107(45-31-60-193-175(187)188)203-161(264)122(79-230)218-165(268)127-84-282-283-85-128(167(270)227-139)221-147(250)104(42-24-28-57-179)199-144(247)106(44-30-59-192-174(185)186)200-150(253)109(54-63-277-12)205-152(255)114(67-94-36-18-15-19-37-94)198-132(235)78-196-143(246)112(64-87(2)3)209-164(267)123(219-142(245)100(181)71-134(238)239)80-278-280-82-125(223-166(126)269)163(266)207-110(46-32-61-194-176(189)190)173(276)229-62-33-47-129(229)168(271)216-119(73-131(183)234)156(259)210-113(65-88(4)5)159(262)225-138(90(8)9)170(273)224-127/h14-21,34-39,48-51,76-77,86-92,100,102-129,137-140,195,230-232H,13,22-33,40-47,52-75,78-85,177-181H2,1-12H3,(H2,182,233)(H2,183,234)(H2,184,244)(H,191,197)(H,196,246)(H,198,235)(H,199,247)(H,200,253)(H,201,257)(H,202,260)(H,203,264)(H,204,265)(H,205,255)(H,206,274)(H,207,266)(H,208,272)(H,209,267)(H,210,259)(H,211,248)(H,212,249)(H,213,261)(H,214,252)(H,215,258)(H,216,271)(H,217,275)(H,218,268)(H,219,245)(H,220,251)(H,221,250)(H,222,256)(H,223,269)(H,224,273)(H,225,262)(H,226,263)(H,227,270)(H,228,254)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t91-,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,137-,138-,139-,140-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
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