BindingDB logo
myBDB logout

BDBM50117607 1-Benzyl-4-[2-(5,6-dimethoxy-benzo[b]thiophen-2-yl)-2-oxo-ethyl]-1-methyl-1,2,3,6-tetrahydro-pyridinium; bromide::CHEMBL314658

SMILES: COc1cc2cc(sc2cc1OC)C(=O)CC1=CC[N+](C)(Cc2ccccc2)CC1

InChI Key: InChIKey=RWPNUXJCHLIEDT-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50117607   
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


(Homo sapiens (human))
BDBM50117607
PNG
(1-Benzyl-4-[2-(5,6-dimethoxy-benzo[b]thiophen-2-yl...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CC1=CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28NO3S/c1-26(17-19-7-5-4-6-8-19)11-9-18(10-12-26)13-21(27)25-15-20-14-22(28-2)23(29-3)16-24(20)30-25/h4-9,14-16H,10-13,17H2,1-3H3/q+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 750n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117607
PNG
(1-Benzyl-4-[2-(5,6-dimethoxy-benzo[b]thiophen-2-yl...)
Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CC1=CC[N+](C)(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28NO3S/c1-26(17-19-7-5-4-6-8-19)11-9-18(10-12-26)13-21(27)25-15-20-14-22(28-2)23(29-3)16-24(20)30-25/h4-9,14-16H,10-13,17H2,1-3H3/q+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Citation and Details
More data for this
Ligand-Target Pair