Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cocaine esterase' and Ligand = 'BDBM50350324'   

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))	BDBM50350324 (CHEMBL1812862) Show SMILES CCCCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72.7	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))	BDBM50350324 (CHEMBL1812862) Show SMILES CCCCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	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 iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50350324 (CHEMBL1812862) Show SMILES CCCCC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	168	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