Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50149369'   

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))	BDBM50149369 (2-(4-Dimethylamino-phenyl)-2H,5H-[1,2,4]triazolo[4...) Show SMILES CN(C)c1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O Show InChI InChI=1S/C17H15N5O2/c1-20(2)11-7-9-12(10-8-11)22-17(24)21-14-6-4-3-5-13(14)18-16(23)15(21)19-22/h3-10H,1-2H3,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	429	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human adenosine A3 receptor expressed in CHO cells by [125I]AB-MECA displacement.				J Med Chem 47: 3580-90 (2004) Article DOI: 10.1021/jm031136l BindingDB Entry DOI: 10.7270/Q2CV4JHH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50149369 (2-(4-Dimethylamino-phenyl)-2H,5H-[1,2,4]triazolo[4...) Show SMILES CN(C)c1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O Show InChI InChI=1S/C17H15N5O2/c1-20(2)11-7-9-12(10-8-11)22-17(24)21-14-6-4-3-5-13(14)18-16(23)15(21)19-22/h3-10H,1-2H3,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.36E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Displacement of specific [125I]AB-MECA binding at human Adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 3737-43 (2005) Article DOI: 10.1016/j.bmcl.2005.05.051 BindingDB Entry DOI: 10.7270/Q28P639J
					More data for this Ligand-Target Pair