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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50440458'   
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))		BDBM50440458
PNG
(CHEMBL2425859)
Show SMILES CC1c2c(Oc3c1c(=O)oc1ccccc31)nc1CCCCc1c2N
Show InChI InChI=1S/C20H18N2O3/c1-10-15-17(21)11-6-2-4-8-13(11)22-19(15)25-18-12-7-3-5-9-14(12)24-20(23)16(10)18/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,21,22)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.22E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 68: 291-300 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.045
BindingDB Entry DOI: 10.7270/Q2794637
More data for this
Ligand-Target Pair