Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50449479'   

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))	BDBM50449479 (CHEMBL4168520) Show SMILES [O-]S(=O)(=O)C(F)(F)F.CN(C)C(=O)Oc1cccc2[n+](C)cc(cc12)C(=O)NCCOCCOCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C28H30N4O7/c1-30(2)28(36)39-24-10-6-9-23-22(24)17-19(18-31(23)3)25(33)29-11-13-37-15-16-38-14-12-32-26(34)20-7-4-5-8-21(20)27(32)35/h4-10,17-18H,11-16H2,1-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured eve...				Eur J Med Chem 155: 171-182 (2018) Article DOI: 10.1016/j.ejmech.2018.05.057 BindingDB Entry DOI: 10.7270/Q2Q52S5C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50449479 (CHEMBL4168520) Show SMILES [O-]S(=O)(=O)C(F)(F)F.CN(C)C(=O)Oc1cccc2[n+](C)cc(cc12)C(=O)NCCOCCOCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C28H30N4O7/c1-30(2)28(36)39-24-10-6-9-23-22(24)17-19(18-31(23)3)25(33)29-11-13-37-15-16-38-14-12-32-26(34)20-7-4-5-8-21(20)27(32)35/h4-10,17-18H,11-16H2,1-3H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE using acetylthiocholine iodide as substrate by Ellman's method				Eur J Med Chem 155: 171-182 (2018) Article DOI: 10.1016/j.ejmech.2018.05.057 BindingDB Entry DOI: 10.7270/Q2Q52S5C
					More data for this Ligand-Target Pair