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BDBM9397 CHEMBL59583::N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(phenylmethane)sulfonylbenzamide hydrochloride::Piperidine Derivative 3m

SMILES: O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=MIWBNDJPFOYQKB-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 9397   
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


(Mus musculus (mouse))
BDBM9397
PNG
(CHEMBL59583 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C28H32N2O3S/c31-28(26-11-13-27(14-12-26)34(32,33)22-25-9-5-2-6-10-25)29-18-15-23-16-19-30(20-17-23)21-24-7-3-1-4-8-24/h1-14,23H,15-22H2,(H,29,31)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 29.0n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


J Med Chem 39: 380-7 (1996)


Article DOI: 10.1021/jm950704x
BindingDB Entry DOI: 10.7270/Q25D8T1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9397
PNG
(CHEMBL59583 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C28H32N2O3S/c31-28(26-11-13-27(14-12-26)34(32,33)22-25-9-5-2-6-10-25)29-18-15-23-16-19-30(20-17-23)21-24-7-3-1-4-8-24/h1-14,23H,15-22H2,(H,29,31)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/a7.425



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair