Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM50248636'   

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))	BDBM50248636 ((E)-2-{3-[(Dimethylamino)methyl]benzylidene}-5,6-d...) Show SMILES COc1cc2C\C(=C/c3cccc(CN(C)C)c3)C(=O)c2cc1OC Show InChI InChI=1S/C21H23NO3/c1-22(2)13-15-7-5-6-14(8-15)9-17-10-16-11-19(24-3)20(25-4)12-18(16)21(17)23/h5-9,11-12H,10,13H2,1-4H3/b17-9+	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of BChE in rat serum after 15 mins by modified Ellman method				Eur J Med Chem 44: 7-17 (2008) Article DOI: 10.1016/j.ejmech.2008.03.003 BindingDB Entry DOI: 10.7270/Q29W0F8B
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