Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50189820'   

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 A1 (BOVINE)	BDBM50189820 (4-acetamido-1,2-dihydro-6-nitro-2-phenyl-1,2,4-tri...) Show SMILES CC(=O)Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O Show InChI InChI=1S/C17H12N6O4/c1-10(24)18-15-16-20-22(11-6-3-2-4-7-11)17(25)21(16)12-8-5-9-13(23(26)27)14(12)19-15/h2-9H,1H3,(H,18,19,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	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 [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor				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 A1 (BOVINE)	BDBM50189820 (4-acetamido-1,2-dihydro-6-nitro-2-phenyl-1,2,4-tri...) Show SMILES CC(=O)Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O Show InChI InChI=1S/C17H12N6O4/c1-10(24)18-15-16-20-22(11-6-3-2-4-7-11)17(25)21(16)12-8-5-9-13(23(26)27)14(12)19-15/h2-9H,1H3,(H,18,19,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes				J Med Chem 49: 3916-25 (2006) Article DOI: 10.1021/jm060373w BindingDB Entry DOI: 10.7270/Q25H7FW1
					More data for this Ligand-Target Pair