Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50342879'   

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 (Bos taurus (bovine))	BDBM50342879 ((E)-1,1'-[4,4'-(Ethene-1,2-diyl)bis(1,4-phenylene)...) Show SMILES OC1C[N+]2(Cc3ccc(\C=C\c4ccc(C[N+]56CCC(CC5)C(O)C6)cc4)cc3)CCC1CC2 Show InChI InChI=1S/C30H40N2O2.2BrH/c33-29-21-31(15-11-27(29)12-16-31)19-25-7-3-23(4-8-25)1-2-24-5-9-26(10-6-24)20-32-17-13-28(14-18-32)30(34)22-32;;/h1-10,27-30,33-34H,11-22H2;2*1H/q+2;;/p-2/b2-1+;;	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay				J Med Chem 54: 2627-45 (2011) Article DOI: 10.1021/jm101299d BindingDB Entry DOI: 10.7270/Q2SQ90QT
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