Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50133415'   

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))	BDBM50133415 (CHEMBL3632850) Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1 Show InChI InChI=1S/C35H47N3O4/c1-22-23(2)33-26(24(3)32(22)39)17-18-35(4,42-33)34(40)37-20-12-8-6-7-11-19-36-31-27-13-9-10-14-29(27)38-30-16-15-25(41-5)21-28(30)31/h15-16,21,39H,6-14,17-20H2,1-5H3,(H,36,38)(H,37,40)	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	6.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...				J Med Chem 58: 8985-9003 (2015) Article DOI: 10.1021/acs.jmedchem.5b01325 BindingDB Entry DOI: 10.7270/Q29P33GZ
					More data for this Ligand-Target Pair