Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase' and Ligand = 'BDBM50500749'   

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)	BDBM50500749 (CHEMBL3754187) Show SMILES I.ICC1CN=C(NCc2ccccc2)S1 |t:4| Show InChI InChI=1S/C11H13IN2S.HI/c12-6-10-8-14-11(15-10)13-7-9-4-2-1-3-5-9;/h1-5,10H,6-8H2,(H,13,14);1H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+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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