Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50068302'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50068302 (CHEMBL3402305) Show SMILES C(CCCn1ccc2ccccc12)CCNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H35N3/c1(2-9-18-29-21-14-24-12-6-7-13-26(24)29)8-17-27-25-15-19-28(20-16-25)22-23-10-4-3-5-11-23/h3-7,10-14,21,25,27H,1-2,8-9,15-20,22H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins by Ellman method				Bioorg Med Chem 23: 2445-57 (2015) Article DOI: 10.1016/j.bmc.2015.03.051 BindingDB Entry DOI: 10.7270/Q2CZ38VB
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