Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50279988'   

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 (Homo sapiens (Human))	BDBM50279988 (10-Amino-3,4-dihydro-2H-1-oxa-9-azonia-anthracene ...) Show SMILES Nc1c2CCCOc2nc2ccccc12 Show InChI InChI=1S/C12H12N2O/c13-11-8-4-1-2-6-10(8)14-12-9(11)5-3-7-15-12/h1-2,4,6H,3,5,7H2,(H2,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	263	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibitory activity against human erythrocyte acetylcholinesterase				J Med Chem 47: 4471-82 (2004) Article DOI: 10.1021/jm049877p BindingDB Entry DOI: 10.7270/Q26974WJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50279988 (10-Amino-3,4-dihydro-2H-1-oxa-9-azonia-anthracene ...) Show SMILES Nc1c2CCCOc2nc2ccccc12 Show InChI InChI=1S/C12H12N2O/c13-11-8-4-1-2-6-10(8)14-12-9(11)5-3-7-15-12/h1-2,4,6H,3,5,7H2,(H2,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.				Bioorg Med Chem Lett 1: 411-414 (1991) Article DOI: 10.1016/S0960-894X(00)80267-X BindingDB Entry DOI: 10.7270/Q2G73DN0
					More data for this Ligand-Target Pair