Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50177994'   

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))	BDBM50177994 (4-N-(propoxycarbonyl)amino-5-phenyl-7-(5-deoxy-bet...) Show SMILES CCCOC(=O)Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C21H24N4O5/c1-3-9-29-21(28)24-18-15-14(13-7-5-4-6-8-13)10-25(19(15)23-11-22-18)20-17(27)16(26)12(2)30-20/h4-8,10-12,16-17,20,26-27H,3,9H2,1-2H3,(H,22,23,24,28)/t12-,16-,17-,20-/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	4	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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