Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50132281'   

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))	BDBM50132281 (1-{5-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1C[C@@H](O)[C@H](C1)C#N Show InChI InChI=1S/C23H18BrN7O/c24-16-3-1-2-13(6-16)17-7-18(30-23-21(17)22(26)28-12-29-23)14-4-5-20(27-9-14)31-10-15(8-25)19(32)11-31/h1-7,9,12,15,19,32H,10-11H2,(H2,26,28,29,30)/t15-,19+/m0/s1	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	7.5	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 in cell assay				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))	BDBM50132281 (1-{5-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1C[C@@H](O)[C@H](C1)C#N Show InChI InChI=1S/C23H18BrN7O/c24-16-3-1-2-13(6-16)17-7-18(30-23-21(17)22(26)28-12-29-23)14-4-5-20(27-9-14)31-10-15(8-25)19(32)11-31/h1-7,9,12,15,19,32H,10-11H2,(H2,26,28,29,30)/t15-,19+/m0/s1	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	496	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 in cell assay				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair