Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50114367'   

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))	BDBM50114367 (CHEMBL3604198) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H40N4O.ClH/c1-34(2)24-19-17-23(18-20-24)30(35)32-22-12-6-4-3-5-11-21-31-29-25-13-7-9-15-27(25)33-28-16-10-8-14-26(28)29;/h7,9,13,15,17-20H,3-6,8,10-12,14,16,21-22H2,1-2H3,(H,31,33)(H,32,35);1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50114367 (CHEMBL3604198) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H40N4O.ClH/c1-34(2)24-19-17-23(18-20-24)30(35)32-22-12-6-4-3-5-11-21-31-29-25-13-7-9-15-27(25)33-28-16-10-8-14-26(28)29;/h7,9,13,15,17-20H,3-6,8,10-12,14,16,21-22H2,1-2H3,(H,31,33)(H,32,35);1H	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	77	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase in human erythrocytes using acetylthiocholine iodide substrate by spectrophotometric Ellman's method				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair