Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM50169859'   

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))	BDBM50169859 (2-[4-(1-Diethylamino-ethyl)-phenoxy]-5,6-dimethoxy...) Show SMILES CCN(CC)C(C)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI InChI=1S/C23H29NO4/c1-6-24(7-2)15(3)16-8-10-18(11-9-16)28-22-13-17-12-20(26-4)21(27-5)14-19(17)23(22)25/h8-12,14-15,22H,6-7,13H2,1-5H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.34E+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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