Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase' and Ligand = 'BDBM50529191'   

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
Liver carboxylesterase (Sus scrofa)	BDBM50529191 (CHEMBL4564380) Show SMILES CCOC(=O)c1ccccc1N\N=C(/C(O)=O)C(=O)C(F)(F)F Show InChI InChI=1S/C13H11F3N2O5/c1-2-23-12(22)7-5-3-4-6-8(7)17-18-9(11(20)21)10(19)13(14,15)16/h3-6,17H,2H2,1H3,(H,20,21)/b18-9-	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Ural Branch of Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric a...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126716 BindingDB Entry DOI: 10.7270/Q2CR5XTF
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