Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50201825'   

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))	BDBM50201825 (5-(4-chlorophenyl)-6-{6-[(2-methoxyethyl)methylami...) Show SMILES COCCN(C)c1ccc(cn1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H20ClN5O/c1-27(11-12-28-2)19-10-4-15(13-24-19)3-9-18-20(21(23)26-14-25-18)16-5-7-17(22)8-6-16/h4-8,10,13-14H,11-12H2,1-2H3,(H2,23,25,26)	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	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))	BDBM50201825 (5-(4-chlorophenyl)-6-{6-[(2-methoxyethyl)methylami...) Show SMILES COCCN(C)c1ccc(cn1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H20ClN5O/c1-27(11-12-28-2)19-10-4-15(13-24-19)3-9-18-20(21(23)26-14-25-18)16-5-7-17(22)8-6-16/h4-8,10,13-14H,11-12H2,1-2H3,(H2,23,25,26)	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	80	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