Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cocaine esterase' and Ligand = 'BDBM50350329'   

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
Cocaine esterase (Homo sapiens (Human))	BDBM50350329 (CHEMBL1812859) Show SMILES CCCCCCCCC(=O)C(=O)CCCCCCCC Show InChI InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.70	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 intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350329 (CHEMBL1812859) Show SMILES CCCCCCCCC(=O)C(=O)CCCCCCCC Show InChI InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24.5	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 intestinal carboxylesterase assessed as hydrolysis of CPT-11 after 5 mins by HPLC				Bioorg Med Chem 19: 4635-43 (2011) Article DOI: 10.1016/j.bmc.2011.06.012 BindingDB Entry DOI: 10.7270/Q2PR7WB9
					More data for this Ligand-Target Pair