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BDBM50405661 CHEMBL165809

SMILES: COc1ccc(\C=C\c2cc[n+](CCO)cc2)c2ccccc12

InChI Key: InChIKey=GSMSFXGRIYBBJV-VOTSOKGWSA-N

Data: 2 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50405661   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Choline acetylase


(Homo sapiens (Human))
BDBM50405661
PNG
(CHEMBL165809)
Show SMILES COc1ccc(\C=C\c2cc[n+](CCO)cc2)c2ccccc12
Show InChI InChI=1S/C20H20NO2/c1-23-20-9-8-17(18-4-2-3-5-19(18)20)7-6-16-10-12-21(13-11-16)14-15-22/h2-13,22H,14-15H2,1H3/q+1/b7-6+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)


Article DOI: 10.1021/jm00399a022
BindingDB Entry DOI: 10.7270/Q24X590S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405661
PNG
(CHEMBL165809)
Show SMILES COc1ccc(\C=C\c2cc[n+](CCO)cc2)c2ccccc12
Show InChI InChI=1S/C20H20NO2/c1-23-20-9-8-17(18-4-2-3-5-19(18)20)7-6-16-10-12-21(13-11-16)14-15-22/h2-13,22H,14-15H2,1H3/q+1/b7-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.43E+5n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinetransferase (AChE) enzyme


J Med Chem 31: 807-14 (1988)


Article DOI: 10.1021/jm00399a022
BindingDB Entry DOI: 10.7270/Q24X590S
More data for this
Ligand-Target Pair