Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cocaine esterase' and Ligand = 'BDBM50570561'   

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))	BDBM50570561 (CHEMBL4855838) Show SMILES COC(=O)C(=N/Nc1ccccc1[N+]([O-])=O)\C(=O)C(F)(F)F Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CES2 expressed in mouse NSO cells using 4-NPA as substrate by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113385 BindingDB Entry DOI: 10.7270/Q2FJ2MK0
					More data for this Ligand-Target Pair