Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50146879'   

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))	BDBM50146879 (CHEMBL433371 | {5-Chloro-2-[5-(5-methyl-2,4-dioxo-...) Show SMILES CCOC(=O)CC1OP(=O)(OCC2OC(C=C2)n2cc(C)c(=O)[nH]c2=O)Oc2cccc(Cl)c12 |c:15| Show InChI InChI=1S/C21H22ClN2O9P/c1-3-29-18(25)9-16-19-14(22)5-4-6-15(19)32-34(28,33-16)30-11-13-7-8-17(31-13)24-10-12(2)20(26)23-21(24)27/h4-8,10,13,16-17H,3,9,11H2,1-2H3,(H,23,26,27)	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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