Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM50169862'   

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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50169862 (5,6-Dimethoxy-2-[3-(4-methyl-piperazin-1-ylmethyl)...) Show SMILES COc1cc2CC(Oc3cccc(CN4CCN(C)CC4)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H28N2O4/c1-24-7-9-25(10-8-24)15-16-5-4-6-18(11-16)29-22-13-17-12-20(27-2)21(28-3)14-19(17)23(22)26/h4-6,11-12,14,22H,7-10,13,15H2,1-3H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against butyrylcholinesterase was determined using rat serum homogenate				Bioorg Med Chem Lett 15: 3834-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.132 BindingDB Entry DOI: 10.7270/Q27H1KBV
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