Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50143581'   

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))	BDBM50143581 (7-[4-(4-Fluoro-benzyl)-[1,4]diazepan-1-yl]-2-pheny...) Show SMILES Fc1ccc(CN2CCCN(CC2)c2ncnc3oc(nc23)-c2ccccc2)cc1 Show InChI InChI=1S/C23H22FN5O/c24-19-9-7-17(8-10-19)15-28-11-4-12-29(14-13-28)21-20-23(26-16-25-21)30-22(27-20)18-5-2-1-3-6-18/h1-3,5-10,16H,4,11-15H2	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
BAYER AG Curated by ChEMBL					Assay Description Inhibitory activity against human adenosine kinase expressed in E. coli				Bioorg Med Chem Lett 14: 1997-2000 (2004) Article DOI: 10.1016/j.bmcl.2004.01.082 BindingDB Entry DOI: 10.7270/Q2GQ6X6B
					More data for this Ligand-Target Pair