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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 = 'BDBM50077665'   
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))
BDBM50077665
PNG
(CHEMBL3417040)
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](CCCNC(N)=N)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/C171H269N55O45S6/c1-15-87(12)133-167(271)226-58-32-45-124(226)162(266)212-115(70-130(237)238)151(255)209-112(67-125(176)230)148(252)210-114(69-129(235)236)150(254)197-100(39-23-26-52-174)143(247)216-120-78-275-273-76-118(155(259)201-98(37-21-24-50-172)140(244)207-109(63-91-46-48-94(229)49-47-91)153(257)222-131(85(8)9)163(267)203-105(135(178)239)62-90-33-17-16-18-34-90)218-146(250)110(64-92-71-192-97-36-20-19-35-95(92)97)208-141(245)102(41-28-54-189-169(181)182)199-147(251)111(65-93-72-187-81-194-93)213-165(269)134(89(14)228)224-144(248)103(42-29-55-190-170(183)184)200-154(258)116(74-227)214-158(262)121-79-276-277-80-122(160(264)223-133)217-142(246)99(38-22-25-51-173)196-139(243)101(40-27-53-188-168(179)180)198-145(249)107(60-83(4)5)204-136(240)88(13)195-127(232)73-193-138(242)106(59-82(2)3)205-157(261)117(215-137(241)96(175)66-128(233)234)75-272-274-77-119(219-159(120)263)156(260)202-104(43-30-56-191-171(185)186)166(270)225-57-31-44-123(225)161(265)211-113(68-126(177)231)149(253)206-108(61-84(6)7)152(256)221-132(86(10)11)164(268)220-121/h16-20,33-36,46-49,71-72,81-89,96,98-124,131-134,192,227-229H,15,21-32,37-45,50-70,73-80,172-175H2,1-14H3,(H2,176,230)(H2,177,231)(H2,178,239)(H,187,194)(H,193,242)(H,195,232)(H,196,243)(H,197,254)(H,198,249)(H,199,251)(H,200,258)(H,201,259)(H,202,260)(H,203,267)(H,204,240)(H,205,261)(H,206,253)(H,207,244)(H,208,245)(H,209,255)(H,210,252)(H,211,265)(H,212,266)(H,213,269)(H,214,262)(H,215,241)(H,216,247)(H,217,246)(H,218,250)(H,219,263)(H,220,268)(H,221,256)(H,222,257)(H,223,264)(H,224,248)(H,233,234)(H,235,236)(H,237,238)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89+,96-,98-,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-,131-,132-,133-,134-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8n/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