Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50224364'   

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))	BDBM50224364 (4-methoxy-N-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O Show InChI InChI=1S/C23H17N5O3/c1-31-17-13-11-16(12-14-17)21(29)25-23-24-18-9-5-6-10-19(18)27-22(30)20(26-28(23)27)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
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