Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50086128'   

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)	BDBM50086128 (2-(4-Methoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]q...) Show SMILES COc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O Show InChI InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)20-16(22)19-13-5-3-2-4-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	934	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 adenosine A1 receptor in bovine brain membranes by [3H]CHA 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 A1 (BOVINE)	BDBM50086128 (2-(4-Methoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]q...) Show SMILES COc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O Show InChI InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)20-16(22)19-13-5-3-2-4-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	934	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM				J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG
					More data for this Ligand-Target Pair