Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50133412'   

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))	BDBM50133412 (CHEMBL3632626) Show SMILES COc1ccc2nc3CCCCc3c(NCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1 Show InChI InChI=1S/C32H41N3O4/c1-19-20(2)30-23(21(3)29(19)36)14-15-32(4,39-30)31(37)34-17-9-8-16-33-28-24-10-6-7-11-26(24)35-27-13-12-22(38-5)18-25(27)28/h12-13,18,36H,6-11,14-17H2,1-5H3,(H,33,35)(H,34,37)	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	7.21E+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