BindingDB logo
myBDB logout

null

SMILES: [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3C#N)C(=O)c2cc1OC

InChI Key: InChIKey=VDWIGHJKHSNVNL-UHFFFAOYSA-M

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 = 50238227   
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))		BDBM50238227
PNG
(CHEMBL4071377)
Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3C#N)C(=O)c2cc1OC
Show InChI InChI=1S/C25H23N2O3.BrH/c1-29-23-12-19-11-20(25(28)22(19)13-24(23)30-2)10-18-8-9-27(16-21(18)14-26)15-17-6-4-3-5-7-17;/h3-9,12-13,16,20H,10-11,15H2,1-2H3;1H/q+1;/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...

J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
BindingDB Entry DOI: 10.7270/Q22V2JC5
More data for this
Ligand-Target Pair