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BDBM50219238 4-[4-(benzhydryloxy)piperidino]butyl benzoate::CHEMBL228999

SMILES: O=C(OCCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=SUQKPOGAPWZPRM-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50219238   
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))
BDBM50219238
PNG
(4-[4-(benzhydryloxy)piperidino]butyl benzoate | CH...)
Show SMILES O=C(OCCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c31-29(26-16-8-3-9-17-26)32-23-11-10-20-30-21-18-27(19-22-30)33-28(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-9,12-17,27-28H,10-11,18-23H2
PDB
MMDB

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Similars

Article
PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



Woosuk University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 15: 6596-607 (2007)


Article DOI: 10.1016/j.bmc.2007.07.003
BindingDB Entry DOI: 10.7270/Q2HM585X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50219238
PNG
(4-[4-(benzhydryloxy)piperidino]butyl benzoate | CH...)
Show SMILES O=C(OCCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33NO3/c31-29(26-16-8-3-9-17-26)32-23-11-10-20-30-21-18-27(19-22-30)33-28(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-9,12-17,27-28H,10-11,18-23H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.31E+3n/an/an/an/an/an/a



Woosuk University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem 15: 6596-607 (2007)


Article DOI: 10.1016/j.bmc.2007.07.003
BindingDB Entry DOI: 10.7270/Q2HM585X
More data for this
Ligand-Target Pair