Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50100585'   

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 (Rattus norvegicus (rat))	BDBM50100585 (7-(4-Nitro-phenyl)-pteridin-4-ylamine | CHEMBL3080...) Show SMILES Nc1ncnc2nc(cnc12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H8N6O2/c13-11-10-12(16-6-15-11)17-9(5-14-10)7-1-3-8(4-2-7)18(19)20/h1-6H,(H2,13,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Adenosine kinase (AK)				J Med Chem 44: 2133-8 (2001) BindingDB Entry DOI: 10.7270/Q25D8R47
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50100585 (7-(4-Nitro-phenyl)-pteridin-4-ylamine | CHEMBL3080...) Show SMILES Nc1ncnc2nc(cnc12)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H8N6O2/c13-11-10-12(16-6-15-11)17-9(5-14-10)7-1-3-8(4-2-7)18(19)20/h1-6H,(H2,13,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of adenosine phosphorylation in confluent IMR-32 (human neuroblastoma) cells.				J Med Chem 44: 2133-8 (2001) BindingDB Entry DOI: 10.7270/Q25D8R47
					More data for this Ligand-Target Pair