Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50202563'   

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))	BDBM50202563 (1-deoxy-1-[6-(N'-(4-chlorobenzoyl)hydrazino)-9H-pu...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(Cl)cc3)ncnc12 |r| Show InChI InChI=1S/C19H20ClN7O5/c1-2-21-18(31)14-12(28)13(29)19(32-14)27-8-24-11-15(22-7-23-16(11)27)25-26-17(30)9-3-5-10(20)6-4-9/h3-8,12-14,19,28-29H,2H2,1H3,(H,21,31)(H,26,30)(H,22,23,25)/t12-,13+,14-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 374-80 (2007) Article DOI: 10.1021/jm061170a BindingDB Entry DOI: 10.7270/Q2F76DDP
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