Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50174603'   

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))	BDBM50174603 ((1R,2R,3R)-2-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl...) Show SMILES Cc1ccccc1-c1cn([C@@H]2OC[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc4OCCOc4c3)c12 Show InChI InChI=1S/C25H24N4O5/c1-14-4-2-3-5-16(14)17-11-29(25-22(31)18(30)12-34-25)24-21(17)23(26-13-27-24)28-15-6-7-19-20(10-15)33-9-8-32-19/h2-7,10-11,13,18,22,25,30-31H,8-9,12H2,1H3,(H,26,27,28)/t18-,22-,25-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand				J Med Chem 48: 6430-41 (2005) Article DOI: 10.1021/jm0503650 BindingDB Entry DOI: 10.7270/Q2DV1JFS
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