Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50201863'   

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))	BDBM50201863 (5-(4-chlorophenyl)-6-(2-morpholin-4-ylpyrimidin-5-...) Show SMILES Nc1ncnc(C#Cc2cnc(nc2)N2CCOCC2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClN6O/c21-16-4-2-15(3-5-16)18-17(25-13-26-19(18)22)6-1-14-11-23-20(24-12-14)27-7-9-28-10-8-27/h2-5,11-13H,7-10H2,(H2,22,25,26)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201863 (5-(4-chlorophenyl)-6-(2-morpholin-4-ylpyrimidin-5-...) Show SMILES Nc1ncnc(C#Cc2cnc(nc2)N2CCOCC2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClN6O/c21-16-4-2-15(3-5-16)18-17(25-13-26-19(18)22)6-1-14-11-23-20(24-12-14)27-7-9-28-10-8-27/h2-5,11-13H,7-10H2,(H2,22,25,26)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of adenosine kinase in intact cells assessed as adenosine phosphorylation				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair