Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50079190'   

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))	BDBM50079190 (CHEMBL3416657) Show SMILES COc1cc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)cc(OC)c1OC Show InChI InChI=1S/C24H27NO6/c1-27-21-13-16(14-22(28-2)24(21)29-3)12-20-23(26)18-7-6-17(15-19(18)31-20)30-11-10-25-8-4-5-9-25/h6-7,12-15H,4-5,8-11H2,1-3H3/b20-12-	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	643	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme in rabbit lung, using hippuryl-histidyl-leucine as substrate				J Med Chem 56: 1041-51 (2013) Article DOI: 10.1021/jm3015052
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50079190 (CHEMBL3416657) Show SMILES COc1cc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)cc(OC)c1OC Show InChI InChI=1S/C24H27NO6/c1-27-21-13-16(14-22(28-2)24(21)29-3)12-20-23(26)18-7-6-17(15-19(18)31-20)30-11-10-25-8-4-5-9-25/h6-7,12-15H,4-5,8-11H2,1-3H3/b20-12-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	643	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE incubated for 15 mins using acetylcholine iodide substrate by colorimetric Ellman's method				Eur J Med Chem 94: 195-210 (2015) Article DOI: 10.1016/j.ejmech.2015.02.055 BindingDB Entry DOI: 10.7270/Q2959K85
					More data for this Ligand-Target Pair