Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50218527'   

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))	BDBM50218527 (6,7-dimethoxy-3-(4-{[(2-methoxybenzyl)methylamino]...) Show SMILES COc1ccccc1CN(C)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O Show InChI InChI=1S/C27H27NO5/c1-28(17-20-7-5-6-8-23(20)30-2)16-18-9-11-19(12-10-18)22-13-21-14-25(31-3)26(32-4)15-24(21)33-27(22)29/h5-15H,16-17H2,1-4H3	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	5.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
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