Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50449480'   

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))	BDBM50449480 (CHEMBL4161343) Show SMILES [I-].CCN(C)C(=O)Oc1cccc2[n+](C)cc(cc12)C(=O)NC(C)C Show InChI InChI=1S/C18H23N3O3/c1-6-20(4)18(23)24-16-9-7-8-15-14(16)10-13(11-21(15)5)17(22)19-12(2)3/h7-12H,6H2,1-5H3/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	>1.00E+4	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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