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BDBM50055187 (3-Methoxy-phenyl)-trimethyl-ammonium::CHEMBL136148

SMILES: COc1cccc(c1)[N+](C)(C)C

InChI Key: InChIKey=WHPHDAQHXCWDGJ-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50055187   
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))
BDBM50055187
PNG
((3-Methoxy-phenyl)-trimethyl-ammonium | CHEMBL1361...)
Show SMILES COc1cccc(c1)[N+](C)(C)C
Show InChI InChI=1S/C10H16NO/c1-11(2,3)9-6-5-7-10(8-9)12-4/h5-8H,1-4H3/q+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.97E+5n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Inhibition acetylcholinesterase (AChE) enzyme.


J Med Chem 40: 4360-71 (1998)


Article DOI: 10.1021/jm970488n
BindingDB Entry DOI: 10.7270/Q2BZ6784
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50055187
PNG
((3-Methoxy-phenyl)-trimethyl-ammonium | CHEMBL1361...)
Show SMILES COc1cccc(c1)[N+](C)(C)C
Show InChI InChI=1S/C10H16NO/c1-11(2,3)9-6-5-7-10(8-9)12-4/h5-8H,1-4H3/q+1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase


J Med Chem 39: 5064-71 (1997)


Article DOI: 10.1021/jm950771r
BindingDB Entry DOI: 10.7270/Q2PZ59GC
More data for this
Ligand-Target Pair