Found 6 hits for monomerid = 50164094 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 4 subunit alpha
(Homo sapiens (Human)) | BDBM50164094
(CHEMBL3800248)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C180H280N54O45S7/c1-13-95(10)142-177(279)234-67-36-52-134(234)172(274)220-125(80-139(244)245)161(263)217-122(77-135(187)238)158(260)218-124(79-138(242)243)160(262)206-110(47-26-31-62-185)151(253)224-130-87-284-282-85-128(165(267)208-108(45-24-29-60-183)148(250)215-119(73-99-53-55-102(237)56-54-99)163(265)230-140(93(6)7)173(275)211-115(144(189)246)71-97-37-16-14-17-38-97)226-156(258)120(74-100-81-200-105-42-21-20-41-103(100)105)216-149(251)107(44-23-28-59-182)205-157(259)121(75-101-82-196-90-201-101)221-175(277)143(96(11)236)232-153(255)112(49-33-64-198-179(192)193)207-164(266)126(83-235)222-168(270)131-88-285-286-89-132(170(272)231-142)225-150(252)109(46-25-30-61-184)202-146(248)111(48-32-63-197-178(190)191)203-152(254)113(57-68-280-12)209-155(257)118(72-98-39-18-15-19-40-98)214-147(249)106(43-22-27-58-181)204-154(256)116(69-91(2)3)213-167(269)127(223-145(247)104(186)76-137(240)241)84-281-283-86-129(227-169(130)271)166(268)210-114(50-34-65-199-180(194)195)176(278)233-66-35-51-133(233)171(273)219-123(78-136(188)239)159(261)212-117(70-92(4)5)162(264)229-141(94(8)9)174(276)228-131/h14-21,37-42,53-56,81-82,90-96,104,106-134,140-143,200,235-237H,13,22-36,43-52,57-80,83-89,181-186H2,1-12H3,(H2,187,238)(H2,188,239)(H2,189,246)(H,196,201)(H,202,248)(H,203,254)(H,204,256)(H,205,259)(H,206,262)(H,207,266)(H,208,267)(H,209,257)(H,210,268)(H,211,275)(H,212,261)(H,213,269)(H,214,249)(H,215,250)(H,216,251)(H,217,263)(H,218,260)(H,219,273)(H,220,274)(H,221,277)(H,222,270)(H,223,247)(H,224,253)(H,225,252)(H,226,258)(H,227,271)(H,228,276)(H,229,264)(H,230,265)(H,231,272)(H,232,255)(H,240,241)(H,242,243)(H,244,245)(H4,190,191,197)(H4,192,193,198)(H4,194,195,199)/t95-,96+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,140-,141-,142-,143-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 290 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Homo sapiens (Human)) | BDBM50164094
(CHEMBL3800248)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C180H280N54O45S7/c1-13-95(10)142-177(279)234-67-36-52-134(234)172(274)220-125(80-139(244)245)161(263)217-122(77-135(187)238)158(260)218-124(79-138(242)243)160(262)206-110(47-26-31-62-185)151(253)224-130-87-284-282-85-128(165(267)208-108(45-24-29-60-183)148(250)215-119(73-99-53-55-102(237)56-54-99)163(265)230-140(93(6)7)173(275)211-115(144(189)246)71-97-37-16-14-17-38-97)226-156(258)120(74-100-81-200-105-42-21-20-41-103(100)105)216-149(251)107(44-23-28-59-182)205-157(259)121(75-101-82-196-90-201-101)221-175(277)143(96(11)236)232-153(255)112(49-33-64-198-179(192)193)207-164(266)126(83-235)222-168(270)131-88-285-286-89-132(170(272)231-142)225-150(252)109(46-25-30-61-184)202-146(248)111(48-32-63-197-178(190)191)203-152(254)113(57-68-280-12)209-155(257)118(72-98-39-18-15-19-40-98)214-147(249)106(43-22-27-58-181)204-154(256)116(69-91(2)3)213-167(269)127(223-145(247)104(186)76-137(240)241)84-281-283-86-129(227-169(130)271)166(268)210-114(50-34-65-199-180(194)195)176(278)233-66-35-51-133(233)171(273)219-123(78-136(188)239)159(261)212-117(70-92(4)5)162(264)229-141(94(8)9)174(276)228-131/h14-21,37-42,53-56,81-82,90-96,104,106-134,140-143,200,235-237H,13,22-36,43-52,57-80,83-89,181-186H2,1-12H3,(H2,187,238)(H2,188,239)(H2,189,246)(H,196,201)(H,202,248)(H,203,254)(H,204,256)(H,205,259)(H,206,262)(H,207,266)(H,208,267)(H,209,257)(H,210,268)(H,211,275)(H,212,261)(H,213,269)(H,214,249)(H,215,250)(H,216,251)(H,217,263)(H,218,260)(H,219,273)(H,220,274)(H,221,277)(H,222,270)(H,223,247)(H,224,253)(H,225,252)(H,226,258)(H,227,271)(H,228,276)(H,229,264)(H,230,265)(H,231,272)(H,232,255)(H,240,241)(H,242,243)(H,244,245)(H4,190,191,197)(H4,192,193,198)(H4,194,195,199)/t95-,96+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,140-,141-,142-,143-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
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)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164094
(CHEMBL3800248)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C180H280N54O45S7/c1-13-95(10)142-177(279)234-67-36-52-134(234)172(274)220-125(80-139(244)245)161(263)217-122(77-135(187)238)158(260)218-124(79-138(242)243)160(262)206-110(47-26-31-62-185)151(253)224-130-87-284-282-85-128(165(267)208-108(45-24-29-60-183)148(250)215-119(73-99-53-55-102(237)56-54-99)163(265)230-140(93(6)7)173(275)211-115(144(189)246)71-97-37-16-14-17-38-97)226-156(258)120(74-100-81-200-105-42-21-20-41-103(100)105)216-149(251)107(44-23-28-59-182)205-157(259)121(75-101-82-196-90-201-101)221-175(277)143(96(11)236)232-153(255)112(49-33-64-198-179(192)193)207-164(266)126(83-235)222-168(270)131-88-285-286-89-132(170(272)231-142)225-150(252)109(46-25-30-61-184)202-146(248)111(48-32-63-197-178(190)191)203-152(254)113(57-68-280-12)209-155(257)118(72-98-39-18-15-19-40-98)214-147(249)106(43-22-27-58-181)204-154(256)116(69-91(2)3)213-167(269)127(223-145(247)104(186)76-137(240)241)84-281-283-86-129(227-169(130)271)166(268)210-114(50-34-65-199-180(194)195)176(278)233-66-35-51-133(233)171(273)219-123(78-136(188)239)159(261)212-117(70-92(4)5)162(264)229-141(94(8)9)174(276)228-131/h14-21,37-42,53-56,81-82,90-96,104,106-134,140-143,200,235-237H,13,22-36,43-52,57-80,83-89,181-186H2,1-12H3,(H2,187,238)(H2,188,239)(H2,189,246)(H,196,201)(H,202,248)(H,203,254)(H,204,256)(H,205,259)(H,206,262)(H,207,266)(H,208,267)(H,209,257)(H,210,268)(H,211,275)(H,212,261)(H,213,269)(H,214,249)(H,215,250)(H,216,251)(H,217,263)(H,218,260)(H,219,273)(H,220,274)(H,221,277)(H,222,270)(H,223,247)(H,224,253)(H,225,252)(H,226,258)(H,227,271)(H,228,276)(H,229,264)(H,230,265)(H,231,272)(H,232,255)(H,240,241)(H,242,243)(H,244,245)(H4,190,191,197)(H4,192,193,198)(H4,194,195,199)/t95-,96+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,140-,141-,142-,143-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50164094
(CHEMBL3800248)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C180H280N54O45S7/c1-13-95(10)142-177(279)234-67-36-52-134(234)172(274)220-125(80-139(244)245)161(263)217-122(77-135(187)238)158(260)218-124(79-138(242)243)160(262)206-110(47-26-31-62-185)151(253)224-130-87-284-282-85-128(165(267)208-108(45-24-29-60-183)148(250)215-119(73-99-53-55-102(237)56-54-99)163(265)230-140(93(6)7)173(275)211-115(144(189)246)71-97-37-16-14-17-38-97)226-156(258)120(74-100-81-200-105-42-21-20-41-103(100)105)216-149(251)107(44-23-28-59-182)205-157(259)121(75-101-82-196-90-201-101)221-175(277)143(96(11)236)232-153(255)112(49-33-64-198-179(192)193)207-164(266)126(83-235)222-168(270)131-88-285-286-89-132(170(272)231-142)225-150(252)109(46-25-30-61-184)202-146(248)111(48-32-63-197-178(190)191)203-152(254)113(57-68-280-12)209-155(257)118(72-98-39-18-15-19-40-98)214-147(249)106(43-22-27-58-181)204-154(256)116(69-91(2)3)213-167(269)127(223-145(247)104(186)76-137(240)241)84-281-283-86-129(227-169(130)271)166(268)210-114(50-34-65-199-180(194)195)176(278)233-66-35-51-133(233)171(273)219-123(78-136(188)239)159(261)212-117(70-92(4)5)162(264)229-141(94(8)9)174(276)228-131/h14-21,37-42,53-56,81-82,90-96,104,106-134,140-143,200,235-237H,13,22-36,43-52,57-80,83-89,181-186H2,1-12H3,(H2,187,238)(H2,188,239)(H2,189,246)(H,196,201)(H,202,248)(H,203,254)(H,204,256)(H,205,259)(H,206,262)(H,207,266)(H,208,267)(H,209,257)(H,210,268)(H,211,275)(H,212,261)(H,213,269)(H,214,249)(H,215,250)(H,216,251)(H,217,263)(H,218,260)(H,219,273)(H,220,274)(H,221,277)(H,222,270)(H,223,247)(H,224,253)(H,225,252)(H,226,258)(H,227,271)(H,228,276)(H,229,264)(H,230,265)(H,231,272)(H,232,255)(H,240,241)(H,242,243)(H,244,245)(H4,190,191,197)(H4,192,193,198)(H4,194,195,199)/t95-,96+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,140-,141-,142-,143-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.01E+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)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50164094
(CHEMBL3800248)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C180H280N54O45S7/c1-13-95(10)142-177(279)234-67-36-52-134(234)172(274)220-125(80-139(244)245)161(263)217-122(77-135(187)238)158(260)218-124(79-138(242)243)160(262)206-110(47-26-31-62-185)151(253)224-130-87-284-282-85-128(165(267)208-108(45-24-29-60-183)148(250)215-119(73-99-53-55-102(237)56-54-99)163(265)230-140(93(6)7)173(275)211-115(144(189)246)71-97-37-16-14-17-38-97)226-156(258)120(74-100-81-200-105-42-21-20-41-103(100)105)216-149(251)107(44-23-28-59-182)205-157(259)121(75-101-82-196-90-201-101)221-175(277)143(96(11)236)232-153(255)112(49-33-64-198-179(192)193)207-164(266)126(83-235)222-168(270)131-88-285-286-89-132(170(272)231-142)225-150(252)109(46-25-30-61-184)202-146(248)111(48-32-63-197-178(190)191)203-152(254)113(57-68-280-12)209-155(257)118(72-98-39-18-15-19-40-98)214-147(249)106(43-22-27-58-181)204-154(256)116(69-91(2)3)213-167(269)127(223-145(247)104(186)76-137(240)241)84-281-283-86-129(227-169(130)271)166(268)210-114(50-34-65-199-180(194)195)176(278)233-66-35-51-133(233)171(273)219-123(78-136(188)239)159(261)212-117(70-92(4)5)162(264)229-141(94(8)9)174(276)228-131/h14-21,37-42,53-56,81-82,90-96,104,106-134,140-143,200,235-237H,13,22-36,43-52,57-80,83-89,181-186H2,1-12H3,(H2,187,238)(H2,188,239)(H2,189,246)(H,196,201)(H,202,248)(H,203,254)(H,204,256)(H,205,259)(H,206,262)(H,207,266)(H,208,267)(H,209,257)(H,210,268)(H,211,275)(H,212,261)(H,213,269)(H,214,249)(H,215,250)(H,216,251)(H,217,263)(H,218,260)(H,219,273)(H,220,274)(H,221,277)(H,222,270)(H,223,247)(H,224,253)(H,225,252)(H,226,258)(H,227,271)(H,228,276)(H,229,264)(H,230,265)(H,231,272)(H,232,255)(H,240,241)(H,242,243)(H,244,245)(H4,190,191,197)(H4,192,193,198)(H4,194,195,199)/t95-,96+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,140-,141-,142-,143-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >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)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164094
(CHEMBL3800248)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C180H280N54O45S7/c1-13-95(10)142-177(279)234-67-36-52-134(234)172(274)220-125(80-139(244)245)161(263)217-122(77-135(187)238)158(260)218-124(79-138(242)243)160(262)206-110(47-26-31-62-185)151(253)224-130-87-284-282-85-128(165(267)208-108(45-24-29-60-183)148(250)215-119(73-99-53-55-102(237)56-54-99)163(265)230-140(93(6)7)173(275)211-115(144(189)246)71-97-37-16-14-17-38-97)226-156(258)120(74-100-81-200-105-42-21-20-41-103(100)105)216-149(251)107(44-23-28-59-182)205-157(259)121(75-101-82-196-90-201-101)221-175(277)143(96(11)236)232-153(255)112(49-33-64-198-179(192)193)207-164(266)126(83-235)222-168(270)131-88-285-286-89-132(170(272)231-142)225-150(252)109(46-25-30-61-184)202-146(248)111(48-32-63-197-178(190)191)203-152(254)113(57-68-280-12)209-155(257)118(72-98-39-18-15-19-40-98)214-147(249)106(43-22-27-58-181)204-154(256)116(69-91(2)3)213-167(269)127(223-145(247)104(186)76-137(240)241)84-281-283-86-129(227-169(130)271)166(268)210-114(50-34-65-199-180(194)195)176(278)233-66-35-51-133(233)171(273)219-123(78-136(188)239)159(261)212-117(70-92(4)5)162(264)229-141(94(8)9)174(276)228-131/h14-21,37-42,53-56,81-82,90-96,104,106-134,140-143,200,235-237H,13,22-36,43-52,57-80,83-89,181-186H2,1-12H3,(H2,187,238)(H2,188,239)(H2,189,246)(H,196,201)(H,202,248)(H,203,254)(H,204,256)(H,205,259)(H,206,262)(H,207,266)(H,208,267)(H,209,257)(H,210,268)(H,211,275)(H,212,261)(H,213,269)(H,214,249)(H,215,250)(H,216,251)(H,217,263)(H,218,260)(H,219,273)(H,220,274)(H,221,277)(H,222,270)(H,223,247)(H,224,253)(H,225,252)(H,226,258)(H,227,271)(H,228,276)(H,229,264)(H,230,265)(H,231,272)(H,232,255)(H,240,241)(H,242,243)(H,244,245)(H4,190,191,197)(H4,192,193,198)(H4,194,195,199)/t95-,96+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,140-,141-,142-,143-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method |
J Med Chem 59: 2704-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01947
BindingDB Entry DOI: 10.7270/Q2S184D5 |
More data for this
Ligand-Target Pair | |
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