Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50361669'   

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))	BDBM50361669 (CHEMBL1940619) Show SMILES COC1=CC(=O)C(=CC1=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1 |c:6,t:2| Show InChI InChI=1S/C25H32N2O4/c1-30-24-6-4-3-5-20(24)17-26-11-7-18(8-12-26)19-9-13-27(14-10-19)21-15-23(29)25(31-2)16-22(21)28/h3-6,15-16,18-19H,7-14,17H2,1-2H3	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	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate after 20 mins preincubation by Ellman method				J Med Chem 54: 8299-304 (2011) Article DOI: 10.1021/jm200691d BindingDB Entry DOI: 10.7270/Q2V40VNM
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