Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50413797'   

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))	BDBM50413797 (CHEMBL488148) Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C14H17ClN6O4/c1-16-12(24)9-7(22)8(23)13(25-9)21-4-17-6-10(18-5-2-3-5)19-14(15)20-11(6)21/h4-5,7-9,13,22-23H,2-3H2,1H3,(H,16,24)(H,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sobhasaria Engineering College Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells				Eur J Med Chem 44: 1377-82 (2009) Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03
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