Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50234772'   

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))	BDBM50234772 (CHEMBL4067497) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3)c12 Show InChI InChI=1S/C25H21N3O/c26-22-17-10-4-5-11-19(17)28-25-21(22)20(15-7-2-1-3-8-15)18-13-12-16-9-6-14-27-23(16)24(18)29-25/h1-3,6-9,12-14,20H,4-5,10-11H2,(H2,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50234772 (CHEMBL4067497) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3)c12 Show InChI InChI=1S/C25H21N3O/c26-22-17-10-4-5-11-19(17)28-25-21(22)20(15-7-2-1-3-8-15)18-13-12-16-9-6-14-27-23(16)24(18)29-25/h1-3,6-9,12-14,20H,4-5,10-11H2,(H2,26,28)	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	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair