Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM59202'   

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 receptor A1 (Homo sapiens (Human))	BDBM59202 (Adenosine analog, 5) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 |r| Show InChI InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	775	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
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