Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50079365'   

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))	BDBM50079365 (CHEMBL3416996 | US9663465, 8) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCC2)CC1 Show InChI InChI=1S/C21H31ClN2O2/c1-26-21-13-19(23)18(22)12-17(21)20(25)7-6-15-8-10-24(11-9-15)14-16-4-2-3-5-16/h12-13,15-16H,2-11,14,23H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITE DE CAEN US Patent					Assay Description Acetylcholinesterase extracted from human erythrocytes (buffered aqueous solution, ≧500 units/mg, Sigma Aldrich) is diluted in a 20 mM HEPES bu...				US Patent US9663465 (2017) BindingDB Entry DOI: 10.7270/Q23J3G2W
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50079365 (CHEMBL3416996 | US9663465, 8) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCC2)CC1 Show InChI InChI=1S/C21H31ClN2O2/c1-26-21-13-19(23)18(22)12-17(21)20(25)7-6-15-8-10-24(11-9-15)14-16-4-2-3-5-16/h12-13,15-16H,2-11,14,23H2,1H3	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	69	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
					More data for this Ligand-Target Pair