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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 = 'BDBM50163929'   
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))
BDBM50163929
PNG
(CHEMBL3799377)
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](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](CCCCN)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/C178H276N54O44S7/c1-12-95(10)142-175(276)232-66-35-51-133(232)171(272)220-124(79-139(242)243)160(261)217-121(76-134(185)235)157(258)218-123(78-138(240)241)159(260)206-109(46-25-30-61-183)152(253)223-129-87-281-279-85-127(164(265)208-107(44-23-28-59-181)148(249)214-118(72-98-52-54-101(234)55-53-98)162(263)229-140(93(6)7)172(273)211-114(143(187)244)70-96-36-15-13-16-37-96)225-155(256)119(73-99-80-198-104-41-20-19-40-102(99)104)215-149(250)106(43-22-27-58-180)205-156(257)120(74-100-81-194-90-200-100)216-150(251)105(42-21-26-57-179)202-147(248)111(48-32-63-196-177(190)191)207-163(264)125(83-233)221-167(268)130-88-282-283-89-131(169(270)230-142)224-151(252)108(45-24-29-60-182)203-146(247)110(47-31-62-195-176(188)189)204-153(254)112(56-67-277-11)209-154(255)117(71-97-38-17-14-18-39-97)201-136(237)82-199-145(246)115(68-91(2)3)212-166(267)126(222-144(245)103(184)75-137(238)239)84-278-280-86-128(226-168(129)269)165(266)210-113(49-33-64-197-178(192)193)174(275)231-65-34-50-132(231)170(271)219-122(77-135(186)236)158(259)213-116(69-92(4)5)161(262)228-141(94(8)9)173(274)227-130/h13-20,36-41,52-55,80-81,90-95,103,105-133,140-142,198,233-234H,12,21-35,42-51,56-79,82-89,179-184H2,1-11H3,(H2,185,235)(H2,186,236)(H2,187,244)(H,194,200)(H,199,246)(H,201,237)(H,202,248)(H,203,247)(H,204,254)(H,205,257)(H,206,260)(H,207,264)(H,208,265)(H,209,255)(H,210,266)(H,211,273)(H,212,267)(H,213,259)(H,214,249)(H,215,250)(H,216,251)(H,217,261)(H,218,258)(H,219,271)(H,220,272)(H,221,268)(H,222,245)(H,223,253)(H,224,252)(H,225,256)(H,226,269)(H,227,274)(H,228,262)(H,229,263)(H,230,270)(H,238,239)(H,240,241)(H,242,243)(H4,188,189,195)(H4,190,191,196)(H4,192,193,197)/t95-,103-,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-,132-,133-,140-,141-,142-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 40n/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