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BDBM50117619 1-Cyanomethyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-propyl]-1-methyl-piperidinium; bromide::CHEMBL314502

SMILES: COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(CC#N)CC1

InChI Key: InChIKey=KCWYZUQTPZAYAJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117619   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50117619
PNG
(1-Cyanomethyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(CC#N)CC1
Show InChI InChI=1S/C21H27N2O3S/c1-23(11-8-22)9-6-15(7-10-23)4-5-17(24)21-13-16-12-18(25-2)19(26-3)14-20(16)27-21/h12-15H,4-7,9-11H2,1-3H3/q+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of acetylcholinesterase


Bioorg Med Chem Lett 12: 2569-72 (2002)


Article DOI: 10.1016/s0960-894x(02)00483-3
BindingDB Entry DOI: 10.7270/Q28916C0
More data for this
Ligand-Target Pair