Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase' and Ligand = 'BDBM50500751'   

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)	BDBM50500751 (CHEMBL3754088) Show SMILES I.Fc1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1 |t:15| Show InChI InChI=1S/C18H18FIN2S.HI/c19-16-8-6-15(7-9-16)13-22(12-14-4-2-1-3-5-14)18-21-11-17(10-20)23-18;/h1-9,17H,10-13H2;1H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
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