Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50149370'   

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))	BDBM50149370 (4-Amino-2-(4-methoxy-phenyl)-6-nitro-2H-[1,2,4]tri...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3c(cccc3n2c1=O)[N+]([O-])=O Show InChI InChI=1S/C16H12N6O4/c1-26-10-7-5-9(6-8-10)21-16(23)20-11-3-2-4-12(22(24)25)13(11)18-14(17)15(20)19-21/h2-8H,1H3,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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))	BDBM50149370 (4-Amino-2-(4-methoxy-phenyl)-6-nitro-2H-[1,2,4]tri...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3c(cccc3n2c1=O)[N+]([O-])=O Show InChI InChI=1S/C16H12N6O4/c1-26-10-7-5-9(6-8-10)21-16(23)20-11-3-2-4-12(22(24)25)13(11)18-14(17)15(20)19-21/h2-8H,1H3,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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))	BDBM50149370 (4-Amino-2-(4-methoxy-phenyl)-6-nitro-2H-[1,2,4]tri...) Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3c(cccc3n2c1=O)[N+]([O-])=O Show InChI InChI=1S/C16H12N6O4/c1-26-10-7-5-9(6-8-10)21-16(23)20-11-3-2-4-12(22(24)25)13(11)18-14(17)15(20)19-21/h2-8H,1H3,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.33E+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