Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 432.4 BDBM50134745

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))	BDBM50134745 ((2R,3R,4S,5S)-2-Methoxymethyl-5-(5-phenyl-4-phenyl...) Show SMILES COC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C24H24N4O4/c1-31-13-18-20(29)21(30)24(32-18)28-12-17(15-8-4-2-5-9-15)19-22(25-14-26-23(19)28)27-16-10-6-3-7-11-16/h2-12,14,18,20-21,24,29-30H,13H2,1H3,(H,25,26,27)/t18-,20+,21+,24+/m0/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant adenosine kinase				J Med Chem 46: 4750-60 (2003) Article DOI: 10.1021/jm030230z BindingDB Entry DOI: 10.7270/Q2FB52B9
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