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BDBM50003996 CHEMBL126354::N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-nitro-N-phenylbenzamide::N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-4-nitro-N-phenyl-benzamide

SMILES: [O-][N+](=O)c1ccc(cc1)C(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1

InChI Key: InChIKey=SLPWVPABBZSEMK-UHFFFAOYSA-N

Data: 3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50003996   
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))
BDBM50003996
PNG
(CHEMBL126354 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H29N3O3/c31-27(24-11-13-26(14-12-24)30(32)33)29(25-9-5-2-6-10-25)20-17-22-15-18-28(19-16-22)21-23-7-3-1-4-8-23/h1-14,22H,15-21H2
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50003996
PNG
(CHEMBL126354 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H29N3O3/c31-27(24-11-13-26(14-12-24)30(32)33)29(25-9-5-2-6-10-25)20-17-22-15-18-28(19-16-22)21-23-7-3-1-4-8-23/h1-14,22H,15-21H2
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/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


(Homo sapiens (human))
BDBM50003996
PNG
(CHEMBL126354 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H29N3O3/c31-27(24-11-13-26(14-12-24)30(32)33)29(25-9-5-2-6-10-25)20-17-22-15-18-28(19-16-22)21-23-7-3-1-4-8-23/h1-14,22H,15-21H2
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair