Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50342604'   

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))	BDBM50342604 (2,5-bis(3-(benzofuran-2-ylmethylamino)propylamino)...) Show SMILES Oc1cc(N=CCCNCc2cc3ccccc3o2)c(O)cc1NCCCNCc1cc2ccccc2o1 |w:4.3| Show InChI InChI=1S/C30H32N4O4/c35-27-18-26(34-14-6-12-32-20-24-16-22-8-2-4-10-30(22)38-24)28(36)17-25(27)33-13-5-11-31-19-23-15-21-7-1-3-9-29(21)37-23/h1-4,7-10,13,15-18,31-32,34-36H,5-6,11-12,14,19-20H2	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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University Curated by ChEMBL					Assay Description Inhibition of human serum BuChE				Bioorg Med Chem Lett 21: 2655-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.093 BindingDB Entry DOI: 10.7270/Q2445MSW
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