Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50079368'   

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))	BDBM50079368 (CHEMBL3416999 | US9663465, 16) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCC2CCCCC2)CC1 Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-16-21(25)20(24)15-19(23)22(27)8-7-18-10-13-26(14-11-18)12-9-17-5-3-2-4-6-17/h15-18H,2-14,25H2,1H3	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	222	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))	BDBM50079368 (CHEMBL3416999 | US9663465, 16) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCC2CCCCC2)CC1 Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-16-21(25)20(24)15-19(23)22(27)8-7-18-10-13-26(14-11-18)12-9-17-5-3-2-4-6-17/h15-18H,2-14,25H2,1H3	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	222	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