Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50199975'   

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))	BDBM50199975 (2-(1-benzyl-1,2,3-triazol-4-yl)-N6-methyl-9-(beta-...) Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2ccccc2)nn1 |r| Show InChI InChI=1S/C20H22N8O4/c1-21-18-14-19(28(10-22-14)20-16(31)15(30)13(9-29)32-20)24-17(23-18)12-8-27(26-25-12)7-11-5-3-2-4-6-11/h2-6,8,10,13,15-16,20,29-31H,7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 7373-83 (2006) Article DOI: 10.1021/jm0608208 BindingDB Entry DOI: 10.7270/Q2K64HRJ
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