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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 = 'BDBM50077785'   
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))
BDBM50077785
PNG
(CHEMBL3416939)
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](C)C(=O)N[C@@H](CC(C)C)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/C171H269N53O45S6/c1-15-88(12)134-168(269)224-59-33-46-125(224)163(264)210-116(71-131(235)236)152(253)207-113(68-126(177)228)149(250)208-115(70-130(233)234)151(252)196-102(41-24-28-54-175)144(245)214-121-79-273-271-77-119(156(257)199-100(39-22-26-52-173)141(242)205-110(64-92-47-49-95(227)50-48-92)154(255)220-132(86(8)9)164(265)201-106(136(179)237)63-91-34-17-16-18-35-91)216-147(248)111(65-93-72-190-98-37-20-19-36-96(93)98)206-142(243)99(38-21-25-51-172)195-148(249)112(66-94-73-186-82-192-94)211-166(267)135(90(14)226)222-145(246)104(43-30-56-188-170(182)183)198-155(256)117(75-225)212-159(260)122-80-274-275-81-123(161(262)221-134)215-143(244)101(40-23-27-53-174)194-140(241)103(42-29-55-187-169(180)181)197-146(247)108(61-84(4)5)202-137(238)89(13)193-128(230)74-191-139(240)107(60-83(2)3)203-158(259)118(213-138(239)97(176)67-129(231)232)76-270-272-78-120(217-160(121)261)157(258)200-105(44-31-57-189-171(184)185)167(268)223-58-32-45-124(223)162(263)209-114(69-127(178)229)150(251)204-109(62-85(6)7)153(254)219-133(87(10)11)165(266)218-122/h16-20,34-37,47-50,72-73,82-90,97,99-125,132-135,190,225-227H,15,21-33,38-46,51-71,74-81,172-176H2,1-14H3,(H2,177,228)(H2,178,229)(H2,179,237)(H,186,192)(H,191,240)(H,193,230)(H,194,241)(H,195,249)(H,196,252)(H,197,247)(H,198,256)(H,199,257)(H,200,258)(H,201,265)(H,202,238)(H,203,259)(H,204,251)(H,205,242)(H,206,243)(H,207,253)(H,208,250)(H,209,263)(H,210,264)(H,211,267)(H,212,260)(H,213,239)(H,214,245)(H,215,244)(H,216,248)(H,217,261)(H,218,266)(H,219,254)(H,220,255)(H,221,262)(H,222,246)(H,231,232)(H,233,234)(H,235,236)(H4,180,181,187)(H4,182,183,188)(H4,184,185,189)/t88-,89-,90+,97-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,132-,133-,134-,135-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/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