BindingDB logo
myBDB logout

null

SMILES: [Br-].COc1cc2CCC(Cc3cc[n+](Cc4ccccc4)cc3C(C)=O)C(=O)c2cc1OC

InChI Key: InChIKey=UPQPFYPNYIKSIG-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 = 50291635   
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))		BDBM50291635
PNG
(CHEMBL4162015)
Show SMILES [Br-].COc1cc2CCC(Cc3cc[n+](Cc4ccccc4)cc3C(C)=O)C(=O)c2cc1OC
Show InChI InChI=1S/C27H28NO4.BrH/c1-18(29)24-17-28(16-19-7-5-4-6-8-19)12-11-21(24)13-22-10-9-20-14-25(31-2)26(32-3)15-23(20)27(22)30;/h4-8,11-12,14-15,17,22H,9-10,13,16H2,1-3H3;1H/q+1;/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL


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

Eur J Med Chem 145: 165-190 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.084
BindingDB Entry DOI: 10.7270/Q2FN18RR
More data for this
Ligand-Target Pair