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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 = 'BDBM50077834'   
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))
BDBM50077834
PNG
(CHEMBL3416925)
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(=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)C(C)(C)C |r|
Show InChI InChI=1S/C173H273N53O45S7/c1-16-89(10)134-169(271)226-61-34-47-125(226)163(265)211-116(73-131(237)238)152(254)208-113(70-126(179)230)149(251)209-115(72-130(235)236)151(253)198-102(42-25-29-56-177)144(246)215-121-81-276-274-79-119(156(258)200-100(40-23-27-54-175)141(243)206-110(66-92-48-50-95(229)51-49-92)154(256)222-132(87(6)7)164(266)203-107(137(181)239)65-91-35-18-17-19-36-91)217-147(249)111(67-93-74-192-98-38-21-20-37-96(93)98)207-142(244)99(39-22-26-53-174)197-148(250)112(68-94-75-188-84-194-94)212-166(268)135(90(11)228)224-146(248)104(44-31-58-190-171(184)185)199-155(257)117(77-227)213-159(261)122-82-277-278-83-123(161(263)223-134)216-143(245)101(41-24-28-55-176)195-140(242)103(43-30-57-189-170(182)183)196-145(247)105(52-62-272-15)201-167(269)136(173(12,13)14)220-128(232)76-193-139(241)108(63-85(2)3)204-158(260)118(214-138(240)97(178)69-129(233)234)78-273-275-80-120(218-160(121)262)157(259)202-106(45-32-59-191-172(186)187)168(270)225-60-33-46-124(225)162(264)210-114(71-127(180)231)150(252)205-109(64-86(4)5)153(255)221-133(88(8)9)165(267)219-122/h17-21,35-38,48-51,74-75,84-90,97,99-125,132-136,192,227-229H,16,22-34,39-47,52-73,76-83,174-178H2,1-15H3,(H2,179,230)(H2,180,231)(H2,181,239)(H,188,194)(H,193,241)(H,195,242)(H,196,247)(H,197,250)(H,198,253)(H,199,257)(H,200,258)(H,201,269)(H,202,259)(H,203,266)(H,204,260)(H,205,252)(H,206,243)(H,207,244)(H,208,254)(H,209,251)(H,210,264)(H,211,265)(H,212,268)(H,213,261)(H,214,240)(H,215,246)(H,216,245)(H,217,249)(H,218,262)(H,219,267)(H,220,232)(H,221,255)(H,222,256)(H,223,263)(H,224,248)(H,233,234)(H,235,236)(H,237,238)(H4,182,183,189)(H4,184,185,190)(H4,186,187,191)/t89-,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-,136+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 24n/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