Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase' and Ligand = 'BDBM50358316'   

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)	BDBM50358316 (CHEMBL1922545) Show SMILES CC(C)(N(Cc1ccccc1)C(=O)C(F)(F)F)C(=O)NCCn1cc(COP(C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1 Show InChI InChI=1S/C22H25F9N5O5P/c1-19(2,36(18(38)22(29,30)31)11-14-7-5-4-6-8-14)17(37)32-9-10-35-12-15(33-34-35)13-40-42(3,39)41-16(20(23,24)25)21(26,27)28/h4-8,12,16H,9-11,13H2,1-3H3,(H,32,37)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
Moscow State University Curated by ChEMBL					Assay Description Inhibition of pig liver carboxylesterase using p-nitrophenyl acetate as substrate by spectrophotometric analysis				Bioorg Med Chem Lett 21: 7216-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.030 BindingDB Entry DOI: 10.7270/Q2W66M65
					More data for this Ligand-Target Pair