Found 6 hits for monomerid = 50164374 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 |
|---|
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)
(Homo sapiens (Human)) | BDBM50164374
(CHEMBL3799619)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cc3ccccc3[nH]1)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/C181H269N51O45S7/c1-13-95(10)145-179(277)232-64-35-51-136(232)174(272)217-126(79-142(243)244)163(261)214-123(76-137(187)236)160(258)215-125(78-141(241)242)162(260)205-112(47-27-31-60-185)154(252)222-132-87-282-280-85-130(167(265)207-110(45-25-29-58-183)151(249)212-120(70-99-52-54-104(235)55-53-99)165(263)228-143(93(6)7)175(273)209-116(147(189)245)68-97-36-16-14-17-37-97)224-158(256)121(72-101-80-197-108-43-23-21-41-105(101)108)213-152(250)109(44-24-28-57-182)204-159(257)122(74-103-81-194-90-199-103)218-177(275)146(96(11)234)230-156(254)114(49-33-62-196-181(192)193)206-166(264)128(83-233)220-170(268)133-88-283-284-89-134(172(270)229-145)223-153(251)111(46-26-30-59-184)202-150(248)113(48-32-61-195-180(190)191)203-155(253)115(56-65-278-12)208-157(255)119(69-98-38-18-15-19-39-98)201-139(238)82-198-149(247)117(66-91(2)3)210-168(266)129(221-148(246)106(186)75-140(239)240)84-279-281-86-131(225-171(132)269)169(267)219-127(73-102-71-100-40-20-22-42-107(100)200-102)178(276)231-63-34-50-135(231)173(271)216-124(77-138(188)237)161(259)211-118(67-92(4)5)164(262)227-144(94(8)9)176(274)226-133/h14-23,36-43,52-55,71,80-81,90-96,106,109-136,143-146,197,200,233-235H,13,24-35,44-51,56-70,72-79,82-89,182-186H2,1-12H3,(H2,187,236)(H2,188,237)(H2,189,245)(H,194,199)(H,198,247)(H,201,238)(H,202,248)(H,203,253)(H,204,257)(H,205,260)(H,206,264)(H,207,265)(H,208,255)(H,209,273)(H,210,266)(H,211,259)(H,212,249)(H,213,250)(H,214,261)(H,215,258)(H,216,271)(H,217,272)(H,218,275)(H,219,267)(H,220,268)(H,221,246)(H,222,252)(H,223,251)(H,224,256)(H,225,269)(H,226,274)(H,227,262)(H,228,263)(H,229,270)(H,230,254)(H,239,240)(H,241,242)(H,243,244)(H4,190,191,195)(H4,192,193,196)/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.70E+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 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 | |
Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)
(Homo sapiens (Human)) | BDBM50164374
(CHEMBL3799619)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cc3ccccc3[nH]1)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/C181H269N51O45S7/c1-13-95(10)145-179(277)232-64-35-51-136(232)174(272)217-126(79-142(243)244)163(261)214-123(76-137(187)236)160(258)215-125(78-141(241)242)162(260)205-112(47-27-31-60-185)154(252)222-132-87-282-280-85-130(167(265)207-110(45-25-29-58-183)151(249)212-120(70-99-52-54-104(235)55-53-99)165(263)228-143(93(6)7)175(273)209-116(147(189)245)68-97-36-16-14-17-37-97)224-158(256)121(72-101-80-197-108-43-23-21-41-105(101)108)213-152(250)109(44-24-28-57-182)204-159(257)122(74-103-81-194-90-199-103)218-177(275)146(96(11)234)230-156(254)114(49-33-62-196-181(192)193)206-166(264)128(83-233)220-170(268)133-88-283-284-89-134(172(270)229-145)223-153(251)111(46-26-30-59-184)202-150(248)113(48-32-61-195-180(190)191)203-155(253)115(56-65-278-12)208-157(255)119(69-98-38-18-15-19-39-98)201-139(238)82-198-149(247)117(66-91(2)3)210-168(266)129(221-148(246)106(186)75-140(239)240)84-279-281-86-131(225-171(132)269)169(267)219-127(73-102-71-100-40-20-22-42-107(100)200-102)178(276)231-63-34-50-135(231)173(271)216-124(77-138(188)237)161(259)211-118(67-92(4)5)164(262)227-144(94(8)9)176(274)226-133/h14-23,36-43,52-55,71,80-81,90-96,106,109-136,143-146,197,200,233-235H,13,24-35,44-51,56-70,72-79,82-89,182-186H2,1-12H3,(H2,187,236)(H2,188,237)(H2,189,245)(H,194,199)(H,198,247)(H,201,238)(H,202,248)(H,203,253)(H,204,257)(H,205,260)(H,206,264)(H,207,265)(H,208,255)(H,209,273)(H,210,266)(H,211,259)(H,212,249)(H,213,250)(H,214,261)(H,215,258)(H,216,271)(H,217,272)(H,218,275)(H,219,267)(H,220,268)(H,221,246)(H,222,252)(H,223,251)(H,224,256)(H,225,269)(H,226,274)(H,227,262)(H,228,263)(H,229,270)(H,230,254)(H,239,240)(H,241,242)(H,243,244)(H4,190,191,195)(H4,192,193,196)/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.30E+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 | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164374
(CHEMBL3799619)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cc3ccccc3[nH]1)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/C181H269N51O45S7/c1-13-95(10)145-179(277)232-64-35-51-136(232)174(272)217-126(79-142(243)244)163(261)214-123(76-137(187)236)160(258)215-125(78-141(241)242)162(260)205-112(47-27-31-60-185)154(252)222-132-87-282-280-85-130(167(265)207-110(45-25-29-58-183)151(249)212-120(70-99-52-54-104(235)55-53-99)165(263)228-143(93(6)7)175(273)209-116(147(189)245)68-97-36-16-14-17-37-97)224-158(256)121(72-101-80-197-108-43-23-21-41-105(101)108)213-152(250)109(44-24-28-57-182)204-159(257)122(74-103-81-194-90-199-103)218-177(275)146(96(11)234)230-156(254)114(49-33-62-196-181(192)193)206-166(264)128(83-233)220-170(268)133-88-283-284-89-134(172(270)229-145)223-153(251)111(46-26-30-59-184)202-150(248)113(48-32-61-195-180(190)191)203-155(253)115(56-65-278-12)208-157(255)119(69-98-38-18-15-19-39-98)201-139(238)82-198-149(247)117(66-91(2)3)210-168(266)129(221-148(246)106(186)75-140(239)240)84-279-281-86-131(225-171(132)269)169(267)219-127(73-102-71-100-40-20-22-42-107(100)200-102)178(276)231-63-34-50-135(231)173(271)216-124(77-138(188)237)161(259)211-118(67-92(4)5)164(262)227-144(94(8)9)176(274)226-133/h14-23,36-43,52-55,71,80-81,90-96,106,109-136,143-146,197,200,233-235H,13,24-35,44-51,56-70,72-79,82-89,182-186H2,1-12H3,(H2,187,236)(H2,188,237)(H2,189,245)(H,194,199)(H,198,247)(H,201,238)(H,202,248)(H,203,253)(H,204,257)(H,205,260)(H,206,264)(H,207,265)(H,208,255)(H,209,273)(H,210,266)(H,211,259)(H,212,249)(H,213,250)(H,214,261)(H,215,258)(H,216,271)(H,217,272)(H,218,275)(H,219,267)(H,220,268)(H,221,246)(H,222,252)(H,223,251)(H,224,256)(H,225,269)(H,226,274)(H,227,262)(H,228,263)(H,229,270)(H,230,254)(H,239,240)(H,241,242)(H,243,244)(H4,190,191,195)(H4,192,193,196)/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
| PubMed
| n/a | n/a | 18 | 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 | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50164374
(CHEMBL3799619)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cc3ccccc3[nH]1)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/C181H269N51O45S7/c1-13-95(10)145-179(277)232-64-35-51-136(232)174(272)217-126(79-142(243)244)163(261)214-123(76-137(187)236)160(258)215-125(78-141(241)242)162(260)205-112(47-27-31-60-185)154(252)222-132-87-282-280-85-130(167(265)207-110(45-25-29-58-183)151(249)212-120(70-99-52-54-104(235)55-53-99)165(263)228-143(93(6)7)175(273)209-116(147(189)245)68-97-36-16-14-17-37-97)224-158(256)121(72-101-80-197-108-43-23-21-41-105(101)108)213-152(250)109(44-24-28-57-182)204-159(257)122(74-103-81-194-90-199-103)218-177(275)146(96(11)234)230-156(254)114(49-33-62-196-181(192)193)206-166(264)128(83-233)220-170(268)133-88-283-284-89-134(172(270)229-145)223-153(251)111(46-26-30-59-184)202-150(248)113(48-32-61-195-180(190)191)203-155(253)115(56-65-278-12)208-157(255)119(69-98-38-18-15-19-39-98)201-139(238)82-198-149(247)117(66-91(2)3)210-168(266)129(221-148(246)106(186)75-140(239)240)84-279-281-86-131(225-171(132)269)169(267)219-127(73-102-71-100-40-20-22-42-107(100)200-102)178(276)231-63-34-50-135(231)173(271)216-124(77-138(188)237)161(259)211-118(67-92(4)5)164(262)227-144(94(8)9)176(274)226-133/h14-23,36-43,52-55,71,80-81,90-96,106,109-136,143-146,197,200,233-235H,13,24-35,44-51,56-70,72-79,82-89,182-186H2,1-12H3,(H2,187,236)(H2,188,237)(H2,189,245)(H,194,199)(H,198,247)(H,201,238)(H,202,248)(H,203,253)(H,204,257)(H,205,260)(H,206,264)(H,207,265)(H,208,255)(H,209,273)(H,210,266)(H,211,259)(H,212,249)(H,213,250)(H,214,261)(H,215,258)(H,216,271)(H,217,272)(H,218,275)(H,219,267)(H,220,268)(H,221,246)(H,222,252)(H,223,251)(H,224,256)(H,225,269)(H,226,274)(H,227,262)(H,228,263)(H,229,270)(H,230,254)(H,239,240)(H,241,242)(H,243,244)(H4,190,191,195)(H4,192,193,196)/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
| 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50164374
(CHEMBL3799619)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cc3ccccc3[nH]1)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/C181H269N51O45S7/c1-13-95(10)145-179(277)232-64-35-51-136(232)174(272)217-126(79-142(243)244)163(261)214-123(76-137(187)236)160(258)215-125(78-141(241)242)162(260)205-112(47-27-31-60-185)154(252)222-132-87-282-280-85-130(167(265)207-110(45-25-29-58-183)151(249)212-120(70-99-52-54-104(235)55-53-99)165(263)228-143(93(6)7)175(273)209-116(147(189)245)68-97-36-16-14-17-37-97)224-158(256)121(72-101-80-197-108-43-23-21-41-105(101)108)213-152(250)109(44-24-28-57-182)204-159(257)122(74-103-81-194-90-199-103)218-177(275)146(96(11)234)230-156(254)114(49-33-62-196-181(192)193)206-166(264)128(83-233)220-170(268)133-88-283-284-89-134(172(270)229-145)223-153(251)111(46-26-30-59-184)202-150(248)113(48-32-61-195-180(190)191)203-155(253)115(56-65-278-12)208-157(255)119(69-98-38-18-15-19-39-98)201-139(238)82-198-149(247)117(66-91(2)3)210-168(266)129(221-148(246)106(186)75-140(239)240)84-279-281-86-131(225-171(132)269)169(267)219-127(73-102-71-100-40-20-22-42-107(100)200-102)178(276)231-63-34-50-135(231)173(271)216-124(77-138(188)237)161(259)211-118(67-92(4)5)164(262)227-144(94(8)9)176(274)226-133/h14-23,36-43,52-55,71,80-81,90-96,106,109-136,143-146,197,200,233-235H,13,24-35,44-51,56-70,72-79,82-89,182-186H2,1-12H3,(H2,187,236)(H2,188,237)(H2,189,245)(H,194,199)(H,198,247)(H,201,238)(H,202,248)(H,203,253)(H,204,257)(H,205,260)(H,206,264)(H,207,265)(H,208,255)(H,209,273)(H,210,266)(H,211,259)(H,212,249)(H,213,250)(H,214,261)(H,215,258)(H,216,271)(H,217,272)(H,218,275)(H,219,267)(H,220,268)(H,221,246)(H,222,252)(H,223,251)(H,224,256)(H,225,269)(H,226,274)(H,227,262)(H,228,263)(H,229,270)(H,230,254)(H,239,240)(H,241,242)(H,243,244)(H4,190,191,195)(H4,192,193,196)/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
| 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 | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164374
(CHEMBL3799619)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cc3ccccc3[nH]1)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/C181H269N51O45S7/c1-13-95(10)145-179(277)232-64-35-51-136(232)174(272)217-126(79-142(243)244)163(261)214-123(76-137(187)236)160(258)215-125(78-141(241)242)162(260)205-112(47-27-31-60-185)154(252)222-132-87-282-280-85-130(167(265)207-110(45-25-29-58-183)151(249)212-120(70-99-52-54-104(235)55-53-99)165(263)228-143(93(6)7)175(273)209-116(147(189)245)68-97-36-16-14-17-37-97)224-158(256)121(72-101-80-197-108-43-23-21-41-105(101)108)213-152(250)109(44-24-28-57-182)204-159(257)122(74-103-81-194-90-199-103)218-177(275)146(96(11)234)230-156(254)114(49-33-62-196-181(192)193)206-166(264)128(83-233)220-170(268)133-88-283-284-89-134(172(270)229-145)223-153(251)111(46-26-30-59-184)202-150(248)113(48-32-61-195-180(190)191)203-155(253)115(56-65-278-12)208-157(255)119(69-98-38-18-15-19-39-98)201-139(238)82-198-149(247)117(66-91(2)3)210-168(266)129(221-148(246)106(186)75-140(239)240)84-279-281-86-131(225-171(132)269)169(267)219-127(73-102-71-100-40-20-22-42-107(100)200-102)178(276)231-63-34-50-135(231)173(271)216-124(77-138(188)237)161(259)211-118(67-92(4)5)164(262)227-144(94(8)9)176(274)226-133/h14-23,36-43,52-55,71,80-81,90-96,106,109-136,143-146,197,200,233-235H,13,24-35,44-51,56-70,72-79,82-89,182-186H2,1-12H3,(H2,187,236)(H2,188,237)(H2,189,245)(H,194,199)(H,198,247)(H,201,238)(H,202,248)(H,203,253)(H,204,257)(H,205,260)(H,206,264)(H,207,265)(H,208,255)(H,209,273)(H,210,266)(H,211,259)(H,212,249)(H,213,250)(H,214,261)(H,215,258)(H,216,271)(H,217,272)(H,218,275)(H,219,267)(H,220,268)(H,221,246)(H,222,252)(H,223,251)(H,224,256)(H,225,269)(H,226,274)(H,227,262)(H,228,263)(H,229,270)(H,230,254)(H,239,240)(H,241,242)(H,243,244)(H4,190,191,195)(H4,192,193,196)/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
| PubMed
| n/a | n/a | 180 | 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 | |
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