Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50146872'   

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))	BDBM50146872 (5-Methyl-1-[5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[...) Show SMILES Cc1cccc2COP(=O)(OCC3CCC(O3)n3cc(C)c(=O)[nH]c3=O)Oc12 Show InChI InChI=1S/C18H21N2O7P/c1-11-4-3-5-13-9-24-28(23,27-16(11)13)25-10-14-6-7-15(26-14)20-8-12(2)17(21)19-18(20)22/h3-5,8,14-15H,6-7,9-10H2,1-2H3,(H,19,21,22)	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	1.00E+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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