Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 425.4 BDBM50178004

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 (Homo sapiens (Human))	BDBM50178004 (2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...) Show SMILES CC(C)NC(=O)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C22H27N5O4/c1-12(2)26-16(28)9-23-20-17-15(14-7-5-4-6-8-14)10-27(21(17)25-11-24-20)22-19(30)18(29)13(3)31-22/h4-8,10-13,18-19,22,29-30H,9H2,1-3H3,(H,26,28)(H,23,24,25)/t13-,18-,19-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human adenosine kinase				J Med Chem 48: 7808-20 (2005) Article DOI: 10.1021/jm050394a BindingDB Entry DOI: 10.7270/Q22V2FPZ
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