Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50333154'   

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))	BDBM50333154 (5-Amino-2-(ethyloxy)-6,7,8,9-tetrahydrobenzo[1,8-b...) Show SMILES CCOc1nc2nc3CCCCc3c(N)c2cc1C#N Show InChI InChI=1S/C15H16N4O/c1-2-20-15-9(8-16)7-11-13(17)10-5-3-4-6-12(10)18-14(11)19-15/h7H,2-6H2,1H3,(H2,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333154 (5-Amino-2-(ethyloxy)-6,7,8,9-tetrahydrobenzo[1,8-b...) Show SMILES CCOc1nc2nc3CCCCc3c(N)c2cc1C#N Show InChI InChI=1S/C15H16N4O/c1-2-20-15-9(8-16)7-11-13(17)10-5-3-4-6-12(10)18-14(11)19-15/h7H,2-6H2,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair