Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50146883'   

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))	BDBM50146883 (3-{2-[5-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimid...) Show SMILES COC(=O)CCc1ccc2OP(=O)(OCC3OC(C=C3)n3cc(C)c(=O)[nH]c3=O)OCc2c1 |c:18| Show InChI InChI=1S/C21H23N2O9P/c1-13-10-23(21(26)22-20(13)25)18-7-5-16(31-18)12-30-33(27)29-11-15-9-14(3-6-17(15)32-33)4-8-19(24)28-2/h3,5-7,9-10,16,18H,4,8,11-12H2,1-2H3,(H,22,25,26)	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	8.80E+3	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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