Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50152071'   

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))	BDBM50152071 (2-Hydroxymethyl-5-[6-methylamino-2-(4-quinolin-2-y...) Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C23H22N8O4/c1-24-20-17-21(30(11-25-17)22-19(34)18(33)16(10-32)35-22)29-23(28-20)31-9-13(8-26-31)15-7-6-12-4-2-3-5-14(12)27-15/h2-9,11,16,18-19,22,32-34H,10H2,1H3,(H,24,28,29)/t16-,18-,19-,22?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
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