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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50149953'   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50149953
PNG
(CHEMBL3771027)
Show SMILES C[C@@H](NC(=O)OCC(F)(F)C(F)F)c1nc2ccc(F)cc2s1 |r|
Show InChI InChI=1S/C32H36ClN5O4/c33-26-12-13-29(34-21-26)36-30(39)20-28(32(41)38-14-4-1-5-15-38)35-31(40)24-10-8-23(9-11-24)27-7-3-2-6-25(27)22-37-16-18-42-19-17-37/h2-3,6-13,21,28H,1,4-5,14-20,22H2,(H,35,40)(H,34,36,39)/t28-/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.75E+3n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method

Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair