Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50149357'   

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))	BDBM50149357 (2-(4-Methoxy-phenyl)-6-nitro-2H,5H-[1,2,4]triazolo...) Show SMILES COc1ccc(cc1)-n1nc2n(c3cccc([N+]([O-])=O)c3[nH]c2=O)c1=O Show InChI InChI=1S/C16H11N5O5/c1-26-10-7-5-9(6-8-10)20-16(23)19-11-3-2-4-12(21(24)25)13(11)17-15(22)14(19)18-20/h2-8H,1H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2407-19 (2009) Article DOI: 10.1021/jm8014876 BindingDB Entry DOI: 10.7270/Q2X63MVV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50149357 (2-(4-Methoxy-phenyl)-6-nitro-2H,5H-[1,2,4]triazolo...) Show SMILES COc1ccc(cc1)-n1nc2n(c3cccc([N+]([O-])=O)c3[nH]c2=O)c1=O Show InChI InChI=1S/C16H11N5O5/c1-26-10-7-5-9(6-8-10)20-16(23)19-11-3-2-4-12(21(24)25)13(11)17-15(22)14(19)18-20/h2-8H,1H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	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))	BDBM50149357 (2-(4-Methoxy-phenyl)-6-nitro-2H,5H-[1,2,4]triazolo...) Show SMILES COc1ccc(cc1)-n1nc2n(c3cccc([N+]([O-])=O)c3[nH]c2=O)c1=O Show InChI InChI=1S/C16H11N5O5/c1-26-10-7-5-9(6-8-10)20-16(23)19-11-3-2-4-12(21(24)25)13(11)17-15(22)14(19)18-20/h2-8H,1H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50149357 (2-(4-Methoxy-phenyl)-6-nitro-2H,5H-[1,2,4]triazolo...) Show SMILES COc1ccc(cc1)-n1nc2n(c3cccc([N+]([O-])=O)c3[nH]c2=O)c1=O Show InChI InChI=1S/C16H11N5O5/c1-26-10-7-5-9(6-8-10)20-16(23)19-11-3-2-4-12(21(24)25)13(11)17-15(22)14(19)18-20/h2-8H,1H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.33E+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