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BDBM50441850 CHEMBL2436703

SMILES: Oc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2oc(cc(=O)c12)-c1ccccc1

InChI Key: InChIKey=VBAJECZQEAYMJO-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50441850   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50441850
PNG
(CHEMBL2436703)
Show SMILES Oc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C38H42N4O4/c43-33-24-28(25-36-37(33)34(44)26-35(46-36)27-10-2-1-3-11-27)45-23-9-18-42-21-19-41(20-22-42)17-8-16-39-38-29-12-4-6-14-31(29)40-32-15-7-5-13-30(32)38/h1-4,6,10-12,14,24-26,43H,5,7-9,13,15-23H2,(H,39,40)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 133n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method


Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50441850
PNG
(CHEMBL2436703)
Show SMILES Oc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C38H42N4O4/c43-33-24-28(25-36-37(33)34(44)26-35(46-36)27-10-2-1-3-11-27)45-23-9-18-42-21-19-41(20-22-42)17-8-16-39-38-29-12-4-6-14-31(29)40-32-15-7-5-13-30(32)38/h1-4,6,10-12,14,24-26,43H,5,7-9,13,15-23H2,(H,39,40)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 558n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylcholinesterase iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans ...


Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair