Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50100580'   

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))	BDBM50100580 (5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl...) Show SMILES CN(C)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C20H17BrN6/c1-27(2)17-7-6-13(10-23-17)16-9-15(12-4-3-5-14(21)8-12)18-19(22)24-11-25-20(18)26-16/h3-11H,1-2H3,(H2,22,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80	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))	BDBM50100580 (5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl...) Show SMILES CN(C)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C20H17BrN6/c1-27(2)17-7-6-13(10-23-17)16-9-15(12-4-3-5-14(21)8-12)18-19(22)24-11-25-20(18)26-16/h3-11H,1-2H3,(H2,22,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	32	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