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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM50164308'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164308
PNG
(CHEMBL3798309)
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](Cc3c[nH]c4ccccc34)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/C185H278N54O45S7/c1-13-97(10)147-182(284)239-67-36-53-139(239)177(279)225-130(81-144(249)250)166(268)222-127(78-140(191)243)163(265)223-129(80-143(247)248)165(267)210-114(48-27-31-62-189)155(257)229-135-89-289-287-87-133(170(272)212-112(46-25-29-60-187)152(254)218-123(73-101-54-56-105(242)57-55-101)168(270)235-145(95(6)7)178(280)215-119(149(193)251)71-99-37-16-14-17-38-99)231-161(263)125(75-103-83-205-110-44-23-21-42-107(103)110)220-153(255)111(45-24-28-59-186)209-162(264)126(76-104-84-200-92-206-104)226-180(282)148(98(11)241)237-157(259)116(50-33-64-202-184(196)197)211-169(271)131(85-240)227-173(275)136-90-290-291-91-137(175(277)236-147)230-154(256)113(47-26-30-61-188)207-151(253)115(49-32-63-201-183(194)195)208-156(258)117(58-68-285-12)213-159(261)122(72-100-39-18-15-19-40-100)219-160(262)124(74-102-82-204-109-43-22-20-41-106(102)109)221-158(260)120(69-93(2)3)217-172(274)132(228-150(252)108(190)77-142(245)246)86-286-288-88-134(232-174(135)276)171(273)214-118(51-34-65-203-185(198)199)181(283)238-66-35-52-138(238)176(278)224-128(79-141(192)244)164(266)216-121(70-94(4)5)167(269)234-146(96(8)9)179(281)233-136/h14-23,37-44,54-57,82-84,92-98,108,111-139,145-148,204-205,240-242H,13,24-36,45-53,58-81,85-91,186-190H2,1-12H3,(H2,191,243)(H2,192,244)(H2,193,251)(H,200,206)(H,207,253)(H,208,258)(H,209,264)(H,210,267)(H,211,271)(H,212,272)(H,213,261)(H,214,273)(H,215,280)(H,216,266)(H,217,274)(H,218,254)(H,219,262)(H,220,255)(H,221,260)(H,222,268)(H,223,265)(H,224,278)(H,225,279)(H,226,282)(H,227,275)(H,228,252)(H,229,257)(H,230,256)(H,231,263)(H,232,276)(H,233,281)(H,234,269)(H,235,270)(H,236,277)(H,237,259)(H,245,246)(H,247,248)(H,249,250)(H4,194,195,201)(H4,196,197,202)(H4,198,199,203)/t97-,98+,108-,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-,137-,138-,139-,145-,146-,147-,148-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/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