Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50458461'   

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))	BDBM50458461 (CHEMBL4202784) Show SMILES COc1ccc(Cn2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C36H38N4O3/c1-43-26-19-17-25(18-20-26)23-40-24-30(35(41)29-13-5-8-16-33(29)40)36(42)38-22-10-2-9-21-37-34-27-11-3-6-14-31(27)39-32-15-7-4-12-28(32)34/h3,5-6,8,11,13-14,16-20,24H,2,4,7,9-10,12,15,21-23H2,1H3,(H,37,39)(H,38,42)	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	293	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2...				Eur J Med Chem 150: 292-306 (2018) Article DOI: 10.1016/j.ejmech.2018.02.083 BindingDB Entry DOI: 10.7270/Q2W95CT0
					More data for this Ligand-Target Pair