Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50449482'   

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))	BDBM50449482 (CHEMBL4176452) Show SMILES [I-].COCCNC(=O)c1c[n+](C)c2cccc(OC(=O)N(C)C)c2c1 Show InChI InChI=1S/C17H21N3O4/c1-19(2)17(22)24-15-7-5-6-14-13(15)10-12(11-20(14)3)16(21)18-8-9-23-4/h5-7,10-11H,8-9H2,1-4H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured eve...				Eur J Med Chem 155: 171-182 (2018) Article DOI: 10.1016/j.ejmech.2018.05.057 BindingDB Entry DOI: 10.7270/Q2Q52S5C
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