Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50238217'   

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))	BDBM50238217 (CHEMBL4092123) Show SMILES [Br-].CNC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(OC)c(OC)cc2C1=O Show InChI InChI=1S/C27H28N2O4.BrH/c1-17-7-5-6-8-19(17)15-29-10-9-18(23(16-29)27(31)28-2)11-21-12-20-13-24(32-3)25(33-4)14-22(20)26(21)30;/h5-10,13-14,16,21H,11-12,15H2,1-4H3;1H	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					More data for this Ligand-Target Pair