Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50201865'   

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))	BDBM50201865 (1-(4-{5-[6-amino-5-(4-chlorophenyl)pyrimidin-4-yle...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(cn1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN6O/c1-16(31)29-10-12-30(13-11-29)21-9-3-17(14-26-21)2-8-20-22(23(25)28-15-27-20)18-4-6-19(24)7-5-18/h3-7,9,14-15H,10-13H2,1H3,(H2,25,27,28)	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	1	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))	BDBM50201865 (1-(4-{5-[6-amino-5-(4-chlorophenyl)pyrimidin-4-yle...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(cn1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN6O/c1-16(31)29-10-12-30(13-11-29)21-9-3-17(14-26-21)2-8-20-22(23(25)28-15-27-20)18-4-6-19(24)7-5-18/h3-7,9,14-15H,10-13H2,1H3,(H2,25,27,28)	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	39	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