Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM50164309' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164309
(CHEMBL3797934)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccn1)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/C178H267N51O45S7/c1-13-94(10)142-176(274)229-64-35-50-133(229)171(269)214-123(78-139(240)241)160(258)211-120(75-134(184)233)157(255)212-122(77-138(238)239)159(257)202-109(46-25-30-59-182)151(249)219-129-86-279-277-84-127(164(262)204-107(44-23-28-57-180)148(246)209-117(70-98-51-53-102(232)54-52-98)162(260)225-140(92(6)7)172(270)206-113(144(186)242)68-96-36-16-14-17-37-96)221-155(253)118(71-99-79-195-105-42-21-20-41-103(99)105)210-149(247)106(43-22-27-56-179)201-156(254)119(73-101-80-191-89-197-101)215-174(272)143(95(11)231)227-153(251)111(48-33-62-194-178(189)190)203-163(261)125(82-230)217-167(265)130-87-280-281-88-131(169(267)226-142)220-150(248)108(45-24-29-58-181)199-147(245)110(47-32-61-193-177(187)188)200-152(250)112(55-65-275-12)205-154(252)116(69-97-38-18-15-19-39-97)198-136(235)81-196-146(244)114(66-90(2)3)207-165(263)126(218-145(243)104(183)74-137(236)237)83-276-278-85-128(222-168(129)266)166(264)216-124(72-100-40-26-31-60-192-100)175(273)228-63-34-49-132(228)170(268)213-121(76-135(185)234)158(256)208-115(67-91(4)5)161(259)224-141(93(8)9)173(271)223-130/h14-21,26,31,36-42,51-54,60,79-80,89-95,104,106-133,140-143,195,230-232H,13,22-25,27-30,32-35,43-50,55-59,61-78,81-88,179-183H2,1-12H3,(H2,184,233)(H2,185,234)(H2,186,242)(H,191,197)(H,196,244)(H,198,235)(H,199,245)(H,200,250)(H,201,254)(H,202,257)(H,203,261)(H,204,262)(H,205,252)(H,206,270)(H,207,263)(H,208,256)(H,209,246)(H,210,247)(H,211,258)(H,212,255)(H,213,268)(H,214,269)(H,215,272)(H,216,264)(H,217,265)(H,218,243)(H,219,249)(H,220,248)(H,221,253)(H,222,266)(H,223,271)(H,224,259)(H,225,260)(H,226,267)(H,227,251)(H,236,237)(H,238,239)(H,240,241)(H4,187,188,193)(H4,189,190,194)/t94-,95+,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-,140-,141-,142-,143-/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 | 4 | 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 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164309
(CHEMBL3797934)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccn1)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/C178H267N51O45S7/c1-13-94(10)142-176(274)229-64-35-50-133(229)171(269)214-123(78-139(240)241)160(258)211-120(75-134(184)233)157(255)212-122(77-138(238)239)159(257)202-109(46-25-30-59-182)151(249)219-129-86-279-277-84-127(164(262)204-107(44-23-28-57-180)148(246)209-117(70-98-51-53-102(232)54-52-98)162(260)225-140(92(6)7)172(270)206-113(144(186)242)68-96-36-16-14-17-37-96)221-155(253)118(71-99-79-195-105-42-21-20-41-103(99)105)210-149(247)106(43-22-27-56-179)201-156(254)119(73-101-80-191-89-197-101)215-174(272)143(95(11)231)227-153(251)111(48-33-62-194-178(189)190)203-163(261)125(82-230)217-167(265)130-87-280-281-88-131(169(267)226-142)220-150(248)108(45-24-29-58-181)199-147(245)110(47-32-61-193-177(187)188)200-152(250)112(55-65-275-12)205-154(252)116(69-97-38-18-15-19-39-97)198-136(235)81-196-146(244)114(66-90(2)3)207-165(263)126(218-145(243)104(183)74-137(236)237)83-276-278-85-128(222-168(129)266)166(264)216-124(72-100-40-26-31-60-192-100)175(273)228-63-34-49-132(228)170(268)213-121(76-135(185)234)158(256)208-115(67-91(4)5)161(259)224-141(93(8)9)173(271)223-130/h14-21,26,31,36-42,51-54,60,79-80,89-95,104,106-133,140-143,195,230-232H,13,22-25,27-30,32-35,43-50,55-59,61-78,81-88,179-183H2,1-12H3,(H2,184,233)(H2,185,234)(H2,186,242)(H,191,197)(H,196,244)(H,198,235)(H,199,245)(H,200,250)(H,201,254)(H,202,257)(H,203,261)(H,204,262)(H,205,252)(H,206,270)(H,207,263)(H,208,256)(H,209,246)(H,210,247)(H,211,258)(H,212,255)(H,213,268)(H,214,269)(H,215,272)(H,216,264)(H,217,265)(H,218,243)(H,219,249)(H,220,248)(H,221,253)(H,222,266)(H,223,271)(H,224,259)(H,225,260)(H,226,267)(H,227,251)(H,236,237)(H,238,239)(H,240,241)(H4,187,188,193)(H4,189,190,194)/t94-,95+,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-,140-,141-,142-,143-/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 | 300 | 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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