Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50041599'   

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 (Rattus norvegicus (rat))	BDBM50041599 (3-Methyl-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]pyrimi...) Show SMILES Cn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C13H11N3O2/c1-16-12(17)11-10(15-13(16)18)7-9(14-11)8-5-3-2-4-6-8/h2-7,14H,1H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50041599 (3-Methyl-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]pyrimi...) Show SMILES Cn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C13H11N3O2/c1-16-12(17)11-10(15-13(16)18)7-9(14-11)8-5-3-2-4-6-8/h2-7,14H,1H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universität Tübingen Curated by ChEMBL					Assay Description Binding affinity to A1 adenosine receptor from rat cortical membrane in presence of [3H]-R-(phenylisopropyl)-adenosine				J Med Chem 37: 1526-34 (1994) BindingDB Entry DOI: 10.7270/Q28P5ZJN
					More data for this Ligand-Target Pair