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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 = 'BDBM50164174'   
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))
BDBM50164174
PNG
(CHEMBL3798639)
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](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)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/C177H274N56O45S7/c1-11-92(8)139-173(278)233-64-33-49-131(233)169(274)220-122(77-137(244)245)159(264)217-119(74-132(183)237)156(261)218-121(76-136(242)243)158(263)206-106(43-23-27-58-181)148(253)225-128-86-284-281-83-125(162(267)209-104(41-21-25-56-179)145(250)215-116(70-96-50-52-99(236)53-51-96)160(265)229-138(91(6)7)170(275)212-112(141(185)246)68-94-34-14-12-15-35-94)227-154(259)117(71-97-78-199-102-39-19-18-38-100(97)102)216-146(251)103(40-20-24-55-178)205-155(260)118(72-98-79-194-88-201-98)221-171(276)140(93(9)235)231-151(256)109(46-30-61-197-176(190)191)208-161(266)123(81-234)222-165(270)127-85-283-285-87-129(167(272)230-139)226-147(252)105(42-22-26-57-180)203-144(249)107(44-28-59-195-174(186)187)204-150(255)110(54-65-279-10)210-153(258)115(69-95-36-16-13-17-37-95)202-134(239)80-200-143(248)113(66-89(2)3)213-164(269)124(223-142(247)101(182)73-135(240)241)82-280-282-84-126(228-166(128)271)163(268)211-111(47-31-62-198-177(192)193)172(277)232-63-32-48-130(232)168(273)219-120(75-133(184)238)157(262)214-114(67-90(4)5)152(257)207-108(149(254)224-127)45-29-60-196-175(188)189/h12-19,34-39,50-53,78-79,88-93,101,103-131,138-140,199,234-236H,11,20-33,40-49,54-77,80-87,178-182H2,1-10H3,(H2,183,237)(H2,184,238)(H2,185,246)(H,194,201)(H,200,248)(H,202,239)(H,203,249)(H,204,255)(H,205,260)(H,206,263)(H,207,257)(H,208,266)(H,209,267)(H,210,258)(H,211,268)(H,212,275)(H,213,269)(H,214,262)(H,215,250)(H,216,251)(H,217,264)(H,218,261)(H,219,273)(H,220,274)(H,221,276)(H,222,270)(H,223,247)(H,224,254)(H,225,253)(H,226,252)(H,227,259)(H,228,271)(H,229,265)(H,230,272)(H,231,256)(H,240,241)(H,242,243)(H,244,245)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/t92-,93+,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-,138-,139-,140-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 60n/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