Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase' and Ligand = 'BDBM50409655'   

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)	BDBM50409655 (CHEMBL152577) Show SMILES CCCCCCS(=O)(=O)CC(C)=O Show InChI InChI=1S/C9H18O3S/c1-3-4-5-6-7-13(11,12)8-9(2)10/h3-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description In vitro inhibition of porcine carboxylesterase.				J Med Chem 45: 5576-93 (2002) BindingDB Entry DOI: 10.7270/Q2DN4671
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