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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50238239'   
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))		BDBM50238239
PNG
(CHEMBL4099873)
Show SMILES [Br-].CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C25H23ClNO2.BrH/c1-16-5-3-4-6-19(16)14-27-10-9-18(24(15-27)17(2)28)11-21-12-20-13-22(26)7-8-23(20)25(21)29;/h3-10,13,15,21H,11-12,14H2,1-2H3;1H/q+1;/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.63E+3n/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