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BDBM50232236 CHEMBL4095695

SMILES: COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCN1CCCCC1

InChI Key: InChIKey=SUCBPGDIKUCNLJ-ACCUITESSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50232236   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50232236
PNG
(CHEMBL4095695)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C23H28N2O3/c1-27-22-18-19(11-13-23(26)24-20-8-4-2-5-9-20)10-12-21(22)28-17-16-25-14-6-3-7-15-25/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H,24,26)/b13-11+
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/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)


Article DOI: 10.1016/j.ejmech.2016.12.003
BindingDB Entry DOI: 10.7270/Q2HH6N9M
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50232236
PNG
(CHEMBL4095695)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C23H28N2O3/c1-27-22-18-19(11-13-23(26)24-20-8-4-2-5-9-20)10-12-21(22)28-17-16-25-14-6-3-7-15-25/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H,24,26)/b13-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 19n/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)


Article DOI: 10.1016/j.ejmech.2016.12.003
BindingDB Entry DOI: 10.7270/Q2HH6N9M
More data for this
Ligand-Target Pair