BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50117601'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (human))
BDBM50117601
PNG
(1-Benzyl-4-(5,6-dimethoxy-benzo[b]thiophen-2-ylmet...)
Show SMILES COc1cc2cc(C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC
Show InChI InChI=1S/C24H28NO2S/c1-25(17-19-7-5-4-6-8-19)11-9-18(10-12-25)13-21-14-20-15-22(26-2)23(27-3)16-24(20)28-21/h4-8,13-16H,9-12,17H2,1-3H3/q+1/b18-13-
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 2.67E+3n/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))
BDBM50117601
PNG
(1-Benzyl-4-(5,6-dimethoxy-benzo[b]thiophen-2-ylmet...)
Show SMILES COc1cc2cc(C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC
Show InChI InChI=1S/C24H28NO2S/c1-25(17-19-7-5-4-6-8-19)11-9-18(10-12-25)13-21-14-20-15-22(26-2)23(27-3)16-24(20)28-21/h4-8,13-16H,9-12,17H2,1-3H3/q+1/b18-13-
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