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BDBM50038414 CHEMBL138569::N,N'-(2,3-dihydroxylbenzyl)-N,N,N',N'-tetramethyl-1,10-decanediamine dibromide::N1,N10-bis(2,3-dihydroxybenzyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium bromide

SMILES: C[N+](C)(CCCCCCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O

InChI Key: InChIKey=WLPSRRRABARGGS-UHFFFAOYSA-P

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50038414   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50038414
PNG
(CHEMBL138569 | N,N'-(2,3-dihydroxylbenzyl)-N,N,N',...)
Show SMILES C[N+](C)(CCCCCCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O
Show InChI InChI=1S/C28H44N2O4/c1-29(2,21-23-15-13-17-25(31)27(23)33)19-11-9-7-5-6-8-10-12-20-30(3,4)22-24-16-14-18-26(32)28(24)34/h13-18H,5-12,19-22H2,1-4H3,(H2-2,31,32,33,34)/p+2
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Similars

PubMed
n/an/an/a 230n/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding constant for association with nicotinic acetylcholine receptor (nAChR)


J Med Chem 37: 4417-20 (1995)

Checked by Author
BindingDB Entry DOI: 10.7270/Q24F1PS9
More data for this
Ligand-Target Pair