Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50260302'   

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))	BDBM50260302 (CHEMBL4064304) Show SMILES COc1cc(CN2CCC(CN3CCc4cc(OC)c(OC)cc4C3c3ccccc3)CC2)c(O)c(\C=N\O)c1 Show InChI InChI=1S/C32H39N3O5/c1-38-27-15-25(19-33-37)32(36)26(16-27)21-34-12-9-22(10-13-34)20-35-14-11-24-17-29(39-2)30(40-3)18-28(24)31(35)23-7-5-4-6-8-23/h4-8,15-19,22,31,36-37H,9-14,20-21H2,1-3H3/b33-19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.43E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured every 5 mins for 20 mi...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
					More data for this Ligand-Target Pair