Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM189364'   

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))	BDBM189364 (N-dodecyl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chromen...) Show SMILES CCCCCCCCCCCCNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C25H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-16-27-25(29)20-17-19-21(30-24(20)26)14-12-18-13-15-22(28)31-23(18)19/h12-15,17,26H,2-11,16H2,1H3,(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
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