Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 407.8 BDBM50251909

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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)	BDBM50251909 (4-[(4-Chlorobenzyl)thio]-7-(beta-D-ribofuranosyl)-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccc(Cl)cc3)ncnc12 |r| Show InChI InChI=1S/C18H18ClN3O4S/c19-11-3-1-10(2-4-11)8-27-17-12-5-6-22(16(12)20-9-21-17)18-15(25)14(24)13(7-23)26-18/h1-6,9,13-15,18,23-25H,7-8H2/t13-,14-,15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	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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