Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50146878'   

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
Cholinesterase (Homo sapiens (Human))	BDBM50146878 (2-(6-Amino-purin-9-yl)-5-(8-methyl-2-oxo-4H-2lambd...) Show SMILES Cc1cccc2COP(=O)(OCC3CC(O)C(O3)n3cnc4c(N)ncnc34)Oc12 Show InChI InChI=1S/C18H20N5O6P/c1-10-3-2-4-11-6-26-30(25,29-15(10)11)27-7-12-5-13(24)18(28-12)23-9-22-14-16(19)20-8-21-17(14)23/h2-4,8-9,12-13,18,24H,5-7H2,1H3,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibitory activity towards human butyrylcholinesterase				J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5
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