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SMILES: CCN(CC)CCCOc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC

InChI Key: InChIKey=MIVXLVIUXDGSMV-FYWRMAATSA-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 2 hits for monomerid = 50232223   
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
Cholinesterase


(Homo sapiens (Human))
BDBM50232223
PNG
(CHEMBL4078463)
Show SMILES CCN(CC)CCCOc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC
Show InChI InChI=1S/C23H30N2O3/c1-4-25(5-2)16-9-17-28-21-14-12-19(18-22(21)27-3)13-15-23(26)24-20-10-7-6-8-11-20/h6-8,10-15,18H,4-5,9,16-17H2,1-3H3,(H,24,26)/b15-13+
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MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 17n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6N9M
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50232223
PNG
(CHEMBL4078463)
Show SMILES CCN(CC)CCCOc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC
Show InChI InChI=1S/C23H30N2O3/c1-4-25(5-2)16-9-17-28-21-14-12-19(18-22(21)27-3)13-15-23(26)24-20-10-7-6-8-11-20/h6-8,10-15,18H,4-5,9,16-17H2,1-3H3,(H,24,26)/b15-13+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 24n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6N9M
More data for this
Ligand-Target Pair