Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50196561'   

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))	BDBM50196561 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxyme...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccncc3)nc(nc12)-n1cc(CO)cn1 Show InChI InChI=1S/C19H20N8O5/c28-7-10-5-22-27(6-10)19-24-16(23-11-1-3-20-4-2-11)13-17(25-19)26(9-21-13)18-15(31)14(30)12(8-29)32-18/h1-6,9,12,14-15,18,28-31H,7-8H2,(H,20,23,24,25)/t12-,14-,15-,18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 161-6 (2006) Article DOI: 10.1016/j.bmcl.2006.09.065 BindingDB Entry DOI: 10.7270/Q2KK9BDP
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