Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50055085'   

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))	BDBM50055085 (CHEMBL3317560) Show SMILES COc1ccccc1Cc1nc(N)c2nn(cc2n1)-c1ccccc1 Show InChI InChI=1S/C19H17N5O/c1-25-16-10-6-5-7-13(16)11-17-21-15-12-24(14-8-3-2-4-9-14)23-18(15)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	572	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells by scintillation counting analysis				Eur J Med Chem 84: 614-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.060 BindingDB Entry DOI: 10.7270/Q2BG2QNH
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