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BDBM50232310 CHEMBL4105158

SMILES: CCN(CC)CCCCCCCCOc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC

InChI Key: InChIKey=CEMCHKPKVITYSX-CZIZESTLSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50232310   
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; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232310
PNG
(CHEMBL4105158)
Show SMILES CCN(CC)CCCCCCCCOc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC
Show InChI InChI=1S/C28H40N2O3/c1-4-30(5-2)21-13-8-6-7-9-14-22-33-26-19-17-24(23-27(26)32-3)18-20-28(31)29-25-15-11-10-12-16-25/h10-12,15-20,23H,4-9,13-14,21-22H2,1-3H3,(H,29,31)/b20-18+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/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
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232310
PNG
(CHEMBL4105158)
Show SMILES CCN(CC)CCCCCCCCOc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC
Show InChI InChI=1S/C28H40N2O3/c1-4-30(5-2)21-13-8-6-7-9-14-22-33-26-19-17-24(23-27(26)32-3)18-20-28(31)29-25-15-11-10-12-16-25/h10-12,15-20,23H,4-9,13-14,21-22H2,1-3H3,(H,29,31)/b20-18+
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/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
More data for this
Ligand-Target Pair