Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50095379'   

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))	BDBM50095379 (5-Cyclohexyl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyr...) Show SMILES Nc1ncnc2nc(cc(C3CCCCC3)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C22H26N6O/c23-21-20-17(15-4-2-1-3-5-15)12-18(27-22(20)26-14-25-21)16-6-7-19(24-13-16)28-8-10-29-11-9-28/h6-7,12-15H,1-5,8-11H2,(H2,23,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair
Adenosine kinase (Rattus norvegicus (rat))	BDBM50095379 (5-Cyclohexyl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyr...) Show SMILES Nc1ncnc2nc(cc(C3CCCCC3)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C22H26N6O/c23-21-20-17(15-4-2-1-3-5-15)12-18(27-22(20)26-14-25-21)16-6-7-19(24-13-16)28-8-10-29-11-9-28/h6-7,12-15H,1-5,8-11H2,(H2,23,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay				Bioorg Med Chem Lett 11: 83-6 (2001) BindingDB Entry DOI: 10.7270/Q2PC31NP
					More data for this Ligand-Target Pair