Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50233374'   

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))	BDBM50233374 (9-[N-gamma-(3'-(nitrooxy)propyl)-gamma-aminobutyla...) Show SMILES [O-][N+](=O)OCCCNCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C20H28N4O3/c25-24(26)27-15-7-13-21-12-5-6-14-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,8,10,21H,2,4-7,9,11-15H2,(H,22,23)	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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50233374 (9-[N-gamma-(3'-(nitrooxy)propyl)-gamma-aminobutyla...) Show SMILES [O-][N+](=O)OCCCNCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C20H28N4O3/c25-24(26)27-15-7-13-21-12-5-6-14-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,8,10,21H,2,4-7,9,11-15H2,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Schiller University Jena Curated by ChEMBL					Assay Description Inhibition of Electric eel AChE				J Med Chem 51: 7666-9 (2008) Article DOI: 10.1021/jm801131a BindingDB Entry DOI: 10.7270/Q2TT4QSV
					More data for this Ligand-Target Pair