Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50146871'   

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))	BDBM50146871 (5-Methyl-1-[5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[...) Show SMILES Cc1cccc2COP(=O)(OCC3OC(CC3=O)n3cc(C)c(=O)[nH]c3=O)Oc12 Show InChI InChI=1S/C18H19N2O8P/c1-10-4-3-5-12-8-25-29(24,28-16(10)12)26-9-14-13(21)6-15(27-14)20-7-11(2)17(22)19-18(20)23/h3-5,7,14-15H,6,8-9H2,1-2H3,(H,19,22,23)	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	>5.00E+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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