BindingDB logo
myBDB logout

3 similar compounds to monomer 50037158

Compile data set for download or QSAR
Wt: 423.4
BDBM50004042
Wt: 425.4
BDBM50037139
Wt: 425.4
BDBM50037181

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50004042,50037139,50037181   
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))
BDBM50004042
PNG
(2-(2-(1-(4-methoxybenzyl)piperidin-4-yl)ethyl)-5-n...)
Show SMILES COc1ccc(CN2CCC(CCN3C(=O)c4ccc(cc4C3=O)[N+]([O-])=O)CC2)cc1
Show InChI InChI=1S/C23H25N3O5/c1-31-19-5-2-17(3-6-19)15-24-11-8-16(9-12-24)10-13-25-22(27)20-7-4-18(26(29)30)14-21(20)23(25)28/h2-7,14,16H,8-13,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/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


(Homo sapiens (Human))
BDBM50004042
PNG
(2-(2-(1-(4-methoxybenzyl)piperidin-4-yl)ethyl)-5-n...)
Show SMILES COc1ccc(CN2CCC(CCN3C(=O)c4ccc(cc4C3=O)[N+]([O-])=O)CC2)cc1
Show InChI InChI=1S/C23H25N3O5/c1-31-19-5-2-17(3-6-19)15-24-11-8-16(9-12-24)10-13-25-22(27)20-7-4-18(26(29)30)14-21(20)23(25)28/h2-7,14,16H,8-13,15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/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
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50037181
PNG
(2-{5-[Ethyl-(4-methoxy-benzyl)-amino]-pentyl}-5-ni...)
Show SMILES CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O5/c1-3-24(16-17-7-10-19(31-2)11-8-17)13-5-4-6-14-25-22(27)20-12-9-18(26(29)30)15-21(20)23(25)28/h7-12,15H,3-6,13-14,16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 269n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50037139
PNG
(2-{5-[Ethyl-(3-methoxy-benzyl)-amino]-pentyl}-5-ni...)
Show SMILES CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1cccc(OC)c1
Show InChI InChI=1S/C23H27N3O5/c1-3-24(16-17-8-7-9-19(14-17)31-2)12-5-4-6-13-25-22(27)20-11-10-18(26(29)30)15-21(20)23(25)28/h7-11,14-15H,3-6,12-13,16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair