Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase 1' and Ligand = 'BDBM50161517'   

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))	BDBM50161517 (6-Phenyl-1-(5-pyridin-2-yl-oxazol-2-yl)-hexan-1-on...) Show SMILES O=C(CCCCCc1ccccc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C20H20N2O2/c23-18(13-6-2-5-11-16-9-3-1-4-10-16)20-22-15-19(24-20)17-12-7-8-14-21-17/h1,3-4,7-10,12,14-15H,2,5-6,11,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of triacylgylcerol hydrolase using FP-Rh radioligand				Bioorg Med Chem Lett 15: 1423-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.085 BindingDB Entry DOI: 10.7270/Q2PK0FNK
					More data for this Ligand-Target Pair