Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase 1' and Ligand = 'BDBM50209404'   

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))	BDBM50209404 (1,2-bis[3-(trifluoromethyl)phenyl]-2-hydroxyethano...) Show SMILES OC(C(=O)c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H10F6O2/c17-15(18,19)11-5-1-3-9(7-11)13(23)14(24)10-4-2-6-12(8-10)16(20,21)22/h1-8,13,23H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	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
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