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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 = 'BDBM50077804'   
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))
BDBM50077804
PNG
(CHEMBL3416932)
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](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/C177H273N53O45S6/c1-14-93(12)140-174(275)230-63-35-50-131(230)169(270)216-122(76-137(241)242)158(259)213-119(73-132(183)234)155(256)214-121(75-136(239)240)157(258)202-107(45-26-30-58-181)149(250)220-127-84-279-277-82-125(162(263)205-105(43-24-28-56-179)146(247)211-116(69-97-51-53-100(233)54-52-97)160(261)226-138(91(8)9)170(271)207-111(142(185)243)67-95-36-17-15-18-37-95)222-153(254)117(70-98-77-196-103-41-22-21-40-101(98)103)212-147(248)104(42-23-27-55-178)201-154(255)118(71-99-78-192-87-198-99)217-172(273)141(94(13)232)228-150(251)109(47-32-60-194-176(188)189)204-161(262)123(80-231)218-165(266)128-85-280-281-86-129(167(268)227-140)221-148(249)106(44-25-29-57-180)200-145(246)108(46-31-59-193-175(186)187)203-151(252)113(65-89(4)5)209-152(253)115(68-96-38-19-16-20-39-96)199-134(236)79-197-144(245)112(64-88(2)3)208-164(265)124(219-143(244)102(182)72-135(237)238)81-276-278-83-126(223-166(127)267)163(264)206-110(48-33-61-195-177(190)191)173(274)229-62-34-49-130(229)168(269)215-120(74-133(184)235)156(257)210-114(66-90(6)7)159(260)225-139(92(10)11)171(272)224-128/h15-22,36-41,51-54,77-78,87-94,102,104-131,138-141,196,231-233H,14,23-35,42-50,55-76,79-86,178-182H2,1-13H3,(H2,183,234)(H2,184,235)(H2,185,243)(H,192,198)(H,197,245)(H,199,236)(H,200,246)(H,201,255)(H,202,258)(H,203,252)(H,204,262)(H,205,263)(H,206,264)(H,207,271)(H,208,265)(H,209,253)(H,210,257)(H,211,247)(H,212,248)(H,213,259)(H,214,256)(H,215,269)(H,216,270)(H,217,273)(H,218,266)(H,219,244)(H,220,250)(H,221,249)(H,222,254)(H,223,267)(H,224,272)(H,225,260)(H,226,261)(H,227,268)(H,228,251)(H,237,238)(H,239,240)(H,241,242)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t93-,94+,102-,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-,141-/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