Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase 1' and Ligand = 'BDBM50209407'   

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))	BDBM50209407 (1,2-bis(3,5-difluorophenyl)-2-hydroxyethanone | CH...) Show SMILES OC(C(=O)c1cc(F)cc(F)c1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C14H8F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6,13,19H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human carboxylesterase 1				Bioorg Med Chem 15: 3801-17 (2007) Article DOI: 10.1016/j.bmc.2007.03.012 BindingDB Entry DOI: 10.7270/Q29G5MGV
					More data for this Ligand-Target Pair