Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50075585'   

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))	BDBM50075585 (CHEMBL3415576) Show SMILES Fc1ccc(CNCCCCCCCCN2C(=O)c3ccccc3C2=O)c(F)c1 Show InChI InChI=1S/C23H26F2N2O2/c24-18-12-11-17(21(25)15-18)16-26-13-7-3-1-2-4-8-14-27-22(28)19-9-5-6-10-20(19)23(27)29/h5-6,9-12,15,26H,1-4,7-8,13-14,16H2	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	578	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075585 (CHEMBL3415576) Show SMILES Fc1ccc(CNCCCCCCCCN2C(=O)c3ccccc3C2=O)c(F)c1 Show InChI InChI=1S/C23H26F2N2O2/c24-18-12-11-17(21(25)15-18)16-26-13-7-3-1-2-4-8-14-27-22(28)19-9-5-6-10-20(19)23(27)29/h5-6,9-12,15,26H,1-4,7-8,13-14,16H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	601	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair