Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5'-nucleotidase' and Ligand = 'BDBM50336785'   

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
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50336785 (CHEMBL606414 | sodium 1-amino-4-(cyclohexylamino)-...) Show SMILES Nc1c(cc(NC2CCCCC2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C20H20N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h4-5,8-11,22H,1-3,6-7,21H2,(H,25,26,27)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method				J Med Chem 53: 2076-86 (2010) Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V
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