Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM227587'   

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))	BDBM227587 (3-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1cccc(c1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-8-17(16-18)24(29)27-15-6-5-14-26-23-19-10-1-3-12-21(19)28-22-13-4-2-11-20(22)23/h1,3,7-10,12,16H,2,4-6,11,13-15H2,(H,26,28)(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97.6	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
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