Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50150306'   

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))	BDBM50150306 (CHEMBL369112 | [2-(1H-Indol-3-yl)-ethyl]-[7-(6-mor...) Show SMILES C(Cc1c[nH]c2ccccc12)Nc1ncnc2nc(cnc12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C25H24N8O/c1-2-4-20-19(3-1)17(13-27-20)7-8-26-24-23-25(31-16-30-24)32-21(15-29-23)18-5-6-22(28-14-18)33-9-11-34-12-10-33/h1-6,13-16,27H,7-12H2,(H,26,30,31,32)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Adenosine kinase in cycstolic assay				Bioorg Med Chem Lett 14: 4165-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.029 BindingDB Entry DOI: 10.7270/Q24F1Q5N
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