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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50238215'   
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
Cholinesterase


(Equus caballus (Horse))		BDBM50238215
PNG
(CHEMBL4076930)
Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4C)cc3C(N)=O)C(=O)c2cc1OC
Show InChI InChI=1S/C26H26N2O4.BrH/c1-16-6-4-5-7-18(16)14-28-9-8-17(22(15-28)26(27)30)10-20-11-19-12-23(31-2)24(32-3)13-21(19)25(20)29;/h4-9,12-13,15,20H,10-11,14H2,1-3H3,(H-,27,30);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...

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