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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50402590'   
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))		BDBM50402590
PNG
(CHEMBL2205576)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(F)c4)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19FNO4/c1-30-23-7-3-5-19-15-21(25(29)31-24(19)23)22(28)9-8-17-10-12-27(13-11-17)16-18-4-2-6-20(26)14-18/h2-15H,16H2,1H3/q+1/b9-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair