Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50182316'   

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 A3 (Homo sapiens (Human))	BDBM50182316 (1-ethyl-3-((2S,3S,4R,5R)-4-hydroxy-5-(6-(methylami...) Show SMILES CCNC(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC)n1cnc2c(NC)ncnc12 Show InChI InChI=1S/C15H22N8O4/c1-4-18-15(26)22-7-9(24)14(27-10(7)13(25)17-3)23-6-21-8-11(16-2)19-5-20-12(8)23/h5-7,9-10,14,24H,4H2,1-3H3,(H,17,25)(H,16,19,20)(H2,18,22,26)/t7-,9+,10-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem Lett 16: 2525-7 (2006) Article DOI: 10.1016/j.bmcl.2006.01.088 BindingDB Entry DOI: 10.7270/Q2J38S4Z
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