Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50319976'   

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))	BDBM50319976 (2-(4-methylpiperazin-1-yl)-N-phenethylpyrimidin-4-...) Show SMILES CN1CCN(CC1)c1nccc(NCCc2ccccc2)n1 Show InChI InChI=1S/C17H23N5/c1-21-11-13-22(14-12-21)17-19-10-8-16(20-17)18-9-7-15-5-3-2-4-6-15/h2-6,8,10H,7,9,11-14H2,1H3,(H,18,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50319976 (2-(4-methylpiperazin-1-yl)-N-phenethylpyrimidin-4-...) Show SMILES CN1CCN(CC1)c1nccc(NCCc2ccccc2)n1 Show InChI InChI=1S/C17H23N5/c1-21-11-13-22(14-12-21)17-19-10-8-16(20-17)18-9-7-15-5-3-2-4-6-15/h2-6,8,10H,7,9,11-14H2,1H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE incubated with compounf for 5 mins before addition of substrate acetylthiocholine iodide by Ellman's method				Bioorg Med Chem 19: 2269-81 (2011) Article DOI: 10.1016/j.bmc.2011.02.030 BindingDB Entry DOI: 10.7270/Q2Q240JH
					More data for this Ligand-Target Pair