Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50436802'   

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))	BDBM50436802 (CHEMBL3038153) Show SMILES CN1C\C(=C/c2ccccc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1 |r| Show InChI InChI=1S/C37H34N2O2/c1-38-23-28(22-25-12-4-2-5-13-25)34(40)36(24-38)33(27-14-6-3-7-15-27)31-20-8-9-21-39(31)37(36)30-19-11-17-26-16-10-18-29(32(26)30)35(37)41/h2-7,10-19,22,31,33H,8-9,20-21,23-24H2,1H3/b28-22+/t31-,33-,36-,37-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE after 30 mins by Ellman's method				Eur J Med Chem 65: 240-8 (2013) Article DOI: 10.1016/j.ejmech.2013.04.050 BindingDB Entry DOI: 10.7270/Q23T9JNC
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