BindingDB logo
myBDB logout

null

SMILES: [O-][N+](=O)c1ccccc1CN1CCC(CCC(=O)c2cc3CCC(=O)n4ccc(c2)c34)CC1

InChI Key: InChIKey=YUWFYYYSTMOZFJ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50417806   
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
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50417806
PNG
(CHEMBL1651141)
Show SMILES [O-][N+](=O)c1ccccc1CN1CCC(CCC(=O)c2cc3CCC(=O)n4ccc(c2)c34)CC1
Show InChI InChI=1S/C26H27N3O4/c30-24(22-15-19-6-8-25(31)28-14-11-20(16-22)26(19)28)7-5-18-9-12-27(13-10-18)17-21-3-1-2-4-23(21)29(32)33/h1-4,11,14-16,18H,5-10,12-13,17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 89.1n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro (UFRJ)

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase

Eur J Med Chem 46: 39-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.009
BindingDB Entry DOI: 10.7270/Q2SX6FG0
More data for this
Ligand-Target Pair