Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase 1' and Ligand = 'BDBM50372371'   

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 1 (Homo sapiens (Human))	BDBM50372371 (CHEMBL271789) Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H18N2O5/c27-21(23-25-15-22(31-23)19-7-4-8-20(26-19)24(28)29)14-11-16-9-12-18(13-10-16)30-17-5-2-1-3-6-17/h1-10,12-13,15H,11,14H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of TGH				J Med Chem 51: 937-47 (2008) Article DOI: 10.1021/jm701210y BindingDB Entry DOI: 10.7270/Q2QV3NCP
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