Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50029947'   

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 (Mus musculus (mouse))	BDBM50029947 (2-(4-Benzyl-piperazin-1-ylmethyl)-5,6-dimethoxy-in...) Show SMILES COc1cc2CC(CN3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C23H28N2O3/c1-27-21-13-18-12-19(23(26)20(18)14-22(21)28-2)16-25-10-8-24(9-11-25)15-17-6-4-3-5-7-17/h3-7,13-14,19H,8-12,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase				J Med Chem 38: 4821-9 (1996) BindingDB Entry DOI: 10.7270/Q2QC045T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50029947 (2-(4-Benzyl-piperazin-1-ylmethyl)-5,6-dimethoxy-in...) Show SMILES COc1cc2CC(CN3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C23H28N2O3/c1-27-21-13-18-12-19(23(26)20(18)14-22(21)28-2)16-25-10-8-24(9-11-25)15-17-6-4-3-5-7-17/h3-7,13-14,19H,8-12,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase activity in mouse brain homogenate				Bioorg Med Chem Lett 2: 871-876 (1992) Article DOI: 10.1016/S0960-894X(00)80547-8 BindingDB Entry DOI: 10.7270/Q21R6QDV
					More data for this Ligand-Target Pair