Found 6 hits for monomerid = 50077778 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)) | BDBM50077778
(CHEMBL3416945)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](CCC(O)=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/C177H271N53O46S7/c1-12-93(10)141-174(276)230-64-33-48-131(230)170(272)218-122(77-138(242)243)159(261)215-119(74-132(183)233)156(258)216-121(76-137(240)241)158(260)203-106(43-24-28-59-181)150(252)221-127-85-281-279-83-125(163(265)205-104(41-22-26-57-179)147(249)212-116(70-96-49-51-99(232)52-50-96)161(263)227-139(91(6)7)171(273)209-112(142(185)244)68-94-34-15-13-16-35-94)223-154(256)117(71-97-78-196-102-39-20-19-38-100(97)102)213-148(250)103(40-21-25-56-178)202-155(257)118(72-98-79-192-88-198-98)214-151(253)109(53-54-135(236)237)206-146(248)108(45-30-61-194-176(188)189)204-162(264)123(81-231)219-166(268)128-86-282-283-87-129(168(270)228-141)222-149(251)105(42-23-27-58-180)200-145(247)107(44-29-60-193-175(186)187)201-152(254)110(55-65-277-11)207-153(255)115(69-95-36-17-14-18-37-95)199-134(235)80-197-144(246)113(66-89(2)3)210-165(267)124(220-143(245)101(182)73-136(238)239)82-278-280-84-126(224-167(127)269)164(266)208-111(46-31-62-195-177(190)191)173(275)229-63-32-47-130(229)169(271)217-120(75-133(184)234)157(259)211-114(67-90(4)5)160(262)226-140(92(8)9)172(274)225-128/h13-20,34-39,49-52,78-79,88-93,101,103-131,139-141,196,231-232H,12,21-33,40-48,53-77,80-87,178-182H2,1-11H3,(H2,183,233)(H2,184,234)(H2,185,244)(H,192,198)(H,197,246)(H,199,235)(H,200,247)(H,201,254)(H,202,257)(H,203,260)(H,204,264)(H,205,265)(H,206,248)(H,207,255)(H,208,266)(H,209,273)(H,210,267)(H,211,259)(H,212,249)(H,213,250)(H,214,253)(H,215,261)(H,216,258)(H,217,271)(H,218,272)(H,219,268)(H,220,245)(H,221,252)(H,222,251)(H,223,256)(H,224,269)(H,225,274)(H,226,262)(H,227,263)(H,228,270)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,101-,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-,130-,131-,139-,140-,141-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Homo sapiens (Human)) | BDBM50077778
(CHEMBL3416945)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](CCC(O)=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/C177H271N53O46S7/c1-12-93(10)141-174(276)230-64-33-48-131(230)170(272)218-122(77-138(242)243)159(261)215-119(74-132(183)233)156(258)216-121(76-137(240)241)158(260)203-106(43-24-28-59-181)150(252)221-127-85-281-279-83-125(163(265)205-104(41-22-26-57-179)147(249)212-116(70-96-49-51-99(232)52-50-96)161(263)227-139(91(6)7)171(273)209-112(142(185)244)68-94-34-15-13-16-35-94)223-154(256)117(71-97-78-196-102-39-20-19-38-100(97)102)213-148(250)103(40-21-25-56-178)202-155(257)118(72-98-79-192-88-198-98)214-151(253)109(53-54-135(236)237)206-146(248)108(45-30-61-194-176(188)189)204-162(264)123(81-231)219-166(268)128-86-282-283-87-129(168(270)228-141)222-149(251)105(42-23-27-58-180)200-145(247)107(44-29-60-193-175(186)187)201-152(254)110(55-65-277-11)207-153(255)115(69-95-36-17-14-18-37-95)199-134(235)80-197-144(246)113(66-89(2)3)210-165(267)124(220-143(245)101(182)73-136(238)239)82-278-280-84-126(224-167(127)269)164(266)208-111(46-31-62-195-177(190)191)173(275)229-63-32-47-130(229)169(271)217-120(75-133(184)234)157(259)211-114(67-90(4)5)160(262)226-140(92(8)9)172(274)225-128/h13-20,34-39,49-52,78-79,88-93,101,103-131,139-141,196,231-232H,12,21-33,40-48,53-77,80-87,178-182H2,1-11H3,(H2,183,233)(H2,184,234)(H2,185,244)(H,192,198)(H,197,246)(H,199,235)(H,200,247)(H,201,254)(H,202,257)(H,203,260)(H,204,264)(H,205,265)(H,206,248)(H,207,255)(H,208,266)(H,209,273)(H,210,267)(H,211,259)(H,212,249)(H,213,250)(H,214,253)(H,215,261)(H,216,258)(H,217,271)(H,218,272)(H,219,268)(H,220,245)(H,221,252)(H,222,251)(H,223,256)(H,224,269)(H,225,274)(H,226,262)(H,227,263)(H,228,270)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,101-,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-,130-,131-,139-,140-,141-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+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 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Homo sapiens (Human)) | BDBM50077778
(CHEMBL3416945)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](CCC(O)=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/C177H271N53O46S7/c1-12-93(10)141-174(276)230-64-33-48-131(230)170(272)218-122(77-138(242)243)159(261)215-119(74-132(183)233)156(258)216-121(76-137(240)241)158(260)203-106(43-24-28-59-181)150(252)221-127-85-281-279-83-125(163(265)205-104(41-22-26-57-179)147(249)212-116(70-96-49-51-99(232)52-50-96)161(263)227-139(91(6)7)171(273)209-112(142(185)244)68-94-34-15-13-16-35-94)223-154(256)117(71-97-78-196-102-39-20-19-38-100(97)102)213-148(250)103(40-21-25-56-178)202-155(257)118(72-98-79-192-88-198-98)214-151(253)109(53-54-135(236)237)206-146(248)108(45-30-61-194-176(188)189)204-162(264)123(81-231)219-166(268)128-86-282-283-87-129(168(270)228-141)222-149(251)105(42-23-27-58-180)200-145(247)107(44-29-60-193-175(186)187)201-152(254)110(55-65-277-11)207-153(255)115(69-95-36-17-14-18-37-95)199-134(235)80-197-144(246)113(66-89(2)3)210-165(267)124(220-143(245)101(182)73-136(238)239)82-278-280-84-126(224-167(127)269)164(266)208-111(46-31-62-195-177(190)191)173(275)229-63-32-47-130(229)169(271)217-120(75-133(184)234)157(259)211-114(67-90(4)5)160(262)226-140(92(8)9)172(274)225-128/h13-20,34-39,49-52,78-79,88-93,101,103-131,139-141,196,231-232H,12,21-33,40-48,53-77,80-87,178-182H2,1-11H3,(H2,183,233)(H2,184,234)(H2,185,244)(H,192,198)(H,197,246)(H,199,235)(H,200,247)(H,201,254)(H,202,257)(H,203,260)(H,204,264)(H,205,265)(H,206,248)(H,207,255)(H,208,266)(H,209,273)(H,210,267)(H,211,259)(H,212,249)(H,213,250)(H,214,253)(H,215,261)(H,216,258)(H,217,271)(H,218,272)(H,219,268)(H,220,245)(H,221,252)(H,222,251)(H,223,256)(H,224,269)(H,225,274)(H,226,262)(H,227,263)(H,228,270)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,101-,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-,130-,131-,139-,140-,141-/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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50077778
(CHEMBL3416945)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](CCC(O)=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/C177H271N53O46S7/c1-12-93(10)141-174(276)230-64-33-48-131(230)170(272)218-122(77-138(242)243)159(261)215-119(74-132(183)233)156(258)216-121(76-137(240)241)158(260)203-106(43-24-28-59-181)150(252)221-127-85-281-279-83-125(163(265)205-104(41-22-26-57-179)147(249)212-116(70-96-49-51-99(232)52-50-96)161(263)227-139(91(6)7)171(273)209-112(142(185)244)68-94-34-15-13-16-35-94)223-154(256)117(71-97-78-196-102-39-20-19-38-100(97)102)213-148(250)103(40-21-25-56-178)202-155(257)118(72-98-79-192-88-198-98)214-151(253)109(53-54-135(236)237)206-146(248)108(45-30-61-194-176(188)189)204-162(264)123(81-231)219-166(268)128-86-282-283-87-129(168(270)228-141)222-149(251)105(42-23-27-58-180)200-145(247)107(44-29-60-193-175(186)187)201-152(254)110(55-65-277-11)207-153(255)115(69-95-36-17-14-18-37-95)199-134(235)80-197-144(246)113(66-89(2)3)210-165(267)124(220-143(245)101(182)73-136(238)239)82-278-280-84-126(224-167(127)269)164(266)208-111(46-31-62-195-177(190)191)173(275)229-63-32-47-130(229)169(271)217-120(75-133(184)234)157(259)211-114(67-90(4)5)160(262)226-140(92(8)9)172(274)225-128/h13-20,34-39,49-52,78-79,88-93,101,103-131,139-141,196,231-232H,12,21-33,40-48,53-77,80-87,178-182H2,1-11H3,(H2,183,233)(H2,184,234)(H2,185,244)(H,192,198)(H,197,246)(H,199,235)(H,200,247)(H,201,254)(H,202,257)(H,203,260)(H,204,264)(H,205,265)(H,206,248)(H,207,255)(H,208,266)(H,209,273)(H,210,267)(H,211,259)(H,212,249)(H,213,250)(H,214,253)(H,215,261)(H,216,258)(H,217,271)(H,218,272)(H,219,268)(H,220,245)(H,221,252)(H,222,251)(H,223,256)(H,224,269)(H,225,274)(H,226,262)(H,227,263)(H,228,270)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,101-,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-,130-,131-,139-,140-,141-/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)) | BDBM50077778
(CHEMBL3416945)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](CCC(O)=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/C177H271N53O46S7/c1-12-93(10)141-174(276)230-64-33-48-131(230)170(272)218-122(77-138(242)243)159(261)215-119(74-132(183)233)156(258)216-121(76-137(240)241)158(260)203-106(43-24-28-59-181)150(252)221-127-85-281-279-83-125(163(265)205-104(41-22-26-57-179)147(249)212-116(70-96-49-51-99(232)52-50-96)161(263)227-139(91(6)7)171(273)209-112(142(185)244)68-94-34-15-13-16-35-94)223-154(256)117(71-97-78-196-102-39-20-19-38-100(97)102)213-148(250)103(40-21-25-56-178)202-155(257)118(72-98-79-192-88-198-98)214-151(253)109(53-54-135(236)237)206-146(248)108(45-30-61-194-176(188)189)204-162(264)123(81-231)219-166(268)128-86-282-283-87-129(168(270)228-141)222-149(251)105(42-23-27-58-180)200-145(247)107(44-29-60-193-175(186)187)201-152(254)110(55-65-277-11)207-153(255)115(69-95-36-17-14-18-37-95)199-134(235)80-197-144(246)113(66-89(2)3)210-165(267)124(220-143(245)101(182)73-136(238)239)82-278-280-84-126(224-167(127)269)164(266)208-111(46-31-62-195-177(190)191)173(275)229-63-32-47-130(229)169(271)217-120(75-133(184)234)157(259)211-114(67-90(4)5)160(262)226-140(92(8)9)172(274)225-128/h13-20,34-39,49-52,78-79,88-93,101,103-131,139-141,196,231-232H,12,21-33,40-48,53-77,80-87,178-182H2,1-11H3,(H2,183,233)(H2,184,234)(H2,185,244)(H,192,198)(H,197,246)(H,199,235)(H,200,247)(H,201,254)(H,202,257)(H,203,260)(H,204,264)(H,205,265)(H,206,248)(H,207,255)(H,208,266)(H,209,273)(H,210,267)(H,211,259)(H,212,249)(H,213,250)(H,214,253)(H,215,261)(H,216,258)(H,217,271)(H,218,272)(H,219,268)(H,220,245)(H,221,252)(H,222,251)(H,223,256)(H,224,269)(H,225,274)(H,226,262)(H,227,263)(H,228,270)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,101-,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-,130-,131-,139-,140-,141-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 690 | 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 9 subunit alpha
(Homo sapiens (Human)) | BDBM50077778
(CHEMBL3416945)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](CCC(O)=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/C177H271N53O46S7/c1-12-93(10)141-174(276)230-64-33-48-131(230)170(272)218-122(77-138(242)243)159(261)215-119(74-132(183)233)156(258)216-121(76-137(240)241)158(260)203-106(43-24-28-59-181)150(252)221-127-85-281-279-83-125(163(265)205-104(41-22-26-57-179)147(249)212-116(70-96-49-51-99(232)52-50-96)161(263)227-139(91(6)7)171(273)209-112(142(185)244)68-94-34-15-13-16-35-94)223-154(256)117(71-97-78-196-102-39-20-19-38-100(97)102)213-148(250)103(40-21-25-56-178)202-155(257)118(72-98-79-192-88-198-98)214-151(253)109(53-54-135(236)237)206-146(248)108(45-30-61-194-176(188)189)204-162(264)123(81-231)219-166(268)128-86-282-283-87-129(168(270)228-141)222-149(251)105(42-23-27-58-180)200-145(247)107(44-29-60-193-175(186)187)201-152(254)110(55-65-277-11)207-153(255)115(69-95-36-17-14-18-37-95)199-134(235)80-197-144(246)113(66-89(2)3)210-165(267)124(220-143(245)101(182)73-136(238)239)82-278-280-84-126(224-167(127)269)164(266)208-111(46-31-62-195-177(190)191)173(275)229-63-32-47-130(229)169(271)217-120(75-133(184)234)157(259)211-114(67-90(4)5)160(262)226-140(92(8)9)172(274)225-128/h13-20,34-39,49-52,78-79,88-93,101,103-131,139-141,196,231-232H,12,21-33,40-48,53-77,80-87,178-182H2,1-11H3,(H2,183,233)(H2,184,234)(H2,185,244)(H,192,198)(H,197,246)(H,199,235)(H,200,247)(H,201,254)(H,202,257)(H,203,260)(H,204,264)(H,205,265)(H,206,248)(H,207,255)(H,208,266)(H,209,273)(H,210,267)(H,211,259)(H,212,249)(H,213,250)(H,214,253)(H,215,261)(H,216,258)(H,217,271)(H,218,272)(H,219,268)(H,220,245)(H,221,252)(H,222,251)(H,223,256)(H,224,269)(H,225,274)(H,226,262)(H,227,263)(H,228,270)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,101-,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-,130-,131-,139-,140-,141-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay |
J Med Chem 58: 2299-314 (2015)
Article DOI: 10.1021/jm501765v
BindingDB Entry DOI: 10.7270/Q2F47QVK |
More data for this
Ligand-Target Pair | |
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