Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50117171'   

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))	BDBM50117171 (6-(6-Morpholin-4-yl-pyridin-3-ylethynyl)-5-(3-pyri...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1cccnc1 Show InChI InChI=1S/C23H24N6O/c24-23-20(5-1-3-18-4-2-10-25-15-18)21(27-17-28-23)8-6-19-7-9-22(26-16-19)29-11-13-30-14-12-29/h2,4,7,9-10,15-17H,1,3,5,11-14H2,(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)				J Med Chem 45: 3639-48 (2002) BindingDB Entry DOI: 10.7270/Q2J38RWD
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