Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50251864'   

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
Adenosine kinase (Toxoplasma gondii)	BDBM50251864 (4-[(3-Methylbenzyl)thio]-7-(beta-D-ribofuranosyl)-...) Show SMILES Cc1cccc(CSc2ncnc3n(ccc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C19H21N3O4S/c1-11-3-2-4-12(7-11)9-27-18-13-5-6-22(17(13)20-10-21-18)19-16(25)15(24)14(8-23)26-19/h2-7,10,14-16,19,23-25H,8-9H2,1H3/t14-,15-,16-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Binding affinity to purified Toxoplasma gondii adenosine kinase				J Med Chem 51: 3934-45 (2008) Article DOI: 10.1021/jm800201s BindingDB Entry DOI: 10.7270/Q2NK3DVP
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