Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase' and Ligand = 'BDBM50268001'   

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)	BDBM50268001 (CHEMBL4100446) Show SMILES COC(=O)C1=NNc2nnnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:4| Show InChI InChI=1S/C9H5F9N6O3/c1-27-3(25)2-5(26,24-4(20-19-2)21-22-23-24)6(10,11)7(12,13)8(14,15)9(16,17)18/h26H,1H3,(H,20,21,23)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia. Curated by ChEMBL					Assay Description Competitive inhibition of porcine liver carboxylesterase using varying levels of 4-nitrophenol acetate as substrate preincubated for 10 mins followed...				Bioorg Med Chem 25: 3997-4007 (2017) Article DOI: 10.1016/j.bmc.2017.05.045 BindingDB Entry DOI: 10.7270/Q2F76G21
					More data for this Ligand-Target Pair
Liver carboxylesterase (Sus scrofa)	BDBM50268001 (CHEMBL4100446) Show SMILES COC(=O)C1=NNc2nnnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:4| Show InChI InChI=1S/C9H5F9N6O3/c1-27-3(25)2-5(26,24-4(20-19-2)21-22-23-24)6(10,11)7(12,13)8(14,15)9(16,17)18/h26H,1H3,(H,20,21,23)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia. Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spec...				Bioorg Med Chem 25: 3997-4007 (2017) Article DOI: 10.1016/j.bmc.2017.05.045 BindingDB Entry DOI: 10.7270/Q2F76G21
					More data for this Ligand-Target Pair