BindingDB logo
myBDB logout

BDBM50040626 1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(5-nitro-pyridin-2-yl)-thiourea::CHEMBL158860

SMILES: [O-][N+](=O)c1ccc([N-]C(=[SH+])NCCC2CCN(Cc3ccccc3)CC2)nc1

InChI Key: InChIKey=XDLSKJRQHSJRPZ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50040626   
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


(Rattus norvegicus (rat))
BDBM50040626
PNG
(1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(5-nitro-p...)
Show SMILES [O-][N+](=O)c1ccc([N-]C(=[SH+])NCCC2CCN(Cc3ccccc3)CC2)nc1
Show InChI InChI=1S/C20H25N5O2S/c26-25(27)18-6-7-19(22-14-18)23-20(28)21-11-8-16-9-12-24(13-10-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2,(H2,21,22,23,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre Médicament

Curated by ChEMBL


Assay Description
Inhibition against acetylcholinesterase (AChE)


J Med Chem 37: 689-95 (1994)


Article DOI: 10.1021/jm00031a019
BindingDB Entry DOI: 10.7270/Q2N29W0C
More data for this
Ligand-Target Pair