Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50064055'   

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))	BDBM50064055 (1-[5-(6,8-Dimethyl-2-oxo-4H-2lambda*5*-benzo[1,3,2...) Show SMILES Cc1cc(C)c2OP(=O)(OCC3OC(C=C3)n3cc(C)c(=O)[nH]c3=O)OCc2c1 |c:14| Show InChI InChI=1S/C19H21N2O7P/c1-11-6-12(2)17-14(7-11)9-25-29(24,28-17)26-10-15-4-5-16(27-15)21-8-13(3)18(22)20-19(21)23/h4-8,15-16H,9-10H2,1-3H3,(H,20,22,23)	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	4.60E+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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