Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50132280'   

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))	BDBM50132280 (5-(3-Bromo-phenyl)-7-{6-[4-(tetrahydro-pyran-4-ylo...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)N1CCC(COC2CCOCC2)CC1 Show InChI InChI=1S/C28H30BrN7O2/c29-20-3-1-2-19(14-20)22-15-24(33-28-26(22)27(30)31-17-32-28)23-4-5-25(35-34-23)36-10-6-18(7-11-36)16-38-21-8-12-37-13-9-21/h1-5,14-15,17-18,21H,6-13,16H2,(H2,30,31,32,33)	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132280 (5-(3-Bromo-phenyl)-7-{6-[4-(tetrahydro-pyran-4-ylo...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)N1CCC(COC2CCOCC2)CC1 Show InChI InChI=1S/C28H30BrN7O2/c29-20-3-1-2-19(14-20)22-15-24(33-28-26(22)27(30)31-17-32-28)23-4-5-25(35-34-23)36-10-6-18(7-11-36)16-38-21-8-12-37-13-9-21/h1-5,14-15,17-18,21H,6-13,16H2,(H2,30,31,32,33)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair